Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 2:37:35 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Bi.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 32 12 3 3260 816 119 Max 34 13 4 3270 847 138 Sum 2335 931 265 235011 60103 9267 bravais-lattice index = 14 lattice parameter (alat) = 8.5741 a.u. unit-cell volume = 1424.2459 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.574065 celldm(2)= 1.000000 celldm(3)= 2.609120 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 2.609120 ) 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 0.383271 ) PseudoPot. # 1 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 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 Bi 15.00 208.98040 Bi( 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 ) ( -1.3045601 ) 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 ) ( 1.3045601 ) 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 ) ( -1.3045601 ) 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 ) ( -1.3045601 ) 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 ) ( 1.3045601 ) 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 ) ( 1.3045601 ) 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 ) ( 1.3045601 ) 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 ) ( -1.3045601 ) 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 ) ( 1.3045601 ) 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 ) ( 1.3045601 ) 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 ) ( -1.3045601 ) 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 ) ( -1.3045601 ) 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= 273 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0036630 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0036630 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0036630 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0036630 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0036630 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0036630 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0036630 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0036630 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0036630 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0036630 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0036630 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0036630 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0036630 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0036630 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0036630 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0036630 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0036630 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0036630 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0036630 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0036630 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0036630 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0036630 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0036630 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0036630 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0036630 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0036630 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0036630 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0036630 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0036630 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0036630 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0036630 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0036630 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0036630 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0036630 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0036630 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0036630 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0036630 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0036630 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0036630 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036630 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036630 k( 43) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0036630 k( 44) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0036630 k( 45) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0036630 k( 46) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0036630 k( 47) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0036630 k( 48) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0036630 k( 49) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0036630 k( 50) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0036630 k( 51) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0036630 k( 52) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0036630 k( 53) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0036630 k( 54) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0036630 k( 55) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0036630 k( 56) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0036630 k( 57) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0036630 k( 58) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0036630 k( 59) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0036630 k( 60) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0036630 k( 61) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0036630 k( 62) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0036630 k( 63) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0036630 k( 64) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0036630 k( 65) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0036630 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036630 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036630 k( 68) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0036630 k( 69) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0036630 k( 70) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0036630 k( 71) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0036630 k( 72) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0036630 k( 73) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0036630 k( 74) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0036630 k( 75) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0036630 k( 76) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0036630 k( 77) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0036630 k( 78) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0036630 k( 79) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0036630 k( 80) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0036630 k( 81) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0036630 k( 82) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0036630 k( 83) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0036630 k( 84) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0036630 k( 85) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0036630 k( 86) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0036630 k( 87) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0036630 k( 88) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0036630 k( 89) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0036630 k( 90) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0036630 k( 91) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0036630 k( 92) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0036630 k( 93) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0036630 k( 94) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0036630 k( 95) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0036630 k( 96) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0036630 k( 97) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0036630 k( 98) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0036630 k( 99) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0036630 k( 100) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0036630 k( 101) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0036630 k( 102) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0036630 k( 103) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0036630 k( 104) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0036630 k( 105) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0036630 k( 106) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0036630 k( 107) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0036630 k( 108) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0036630 k( 109) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0036630 k( 110) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0036630 k( 111) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0036630 k( 112) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0036630 k( 113) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0036630 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 116) = ( 0.0000000 0.0000000 0.0136883), wk = 0.0036630 k( 117) = ( 0.0000000 0.0000000 0.0273765), wk = 0.0036630 k( 118) = ( 0.0000000 0.0000000 0.0410647), wk = 0.0036630 k( 119) = ( 0.0000000 0.0000000 0.0547530), wk = 0.0036630 k( 120) = ( 0.0000000 0.0000000 0.0684412), wk = 0.0036630 k( 121) = ( 0.0000000 0.0000000 0.0821295), wk = 0.0036630 k( 122) = ( 0.0000000 0.0000000 0.0958177), wk = 0.0036630 k( 123) = ( 0.0000000 0.0000000 0.1095060), wk = 0.0036630 k( 124) = ( 0.0000000 0.0000000 0.1231942), wk = 0.0036630 k( 125) = ( 0.0000000 0.0000000 0.1368825), wk = 0.0036630 k( 126) = ( 0.0000000 0.0000000 0.1505707), wk = 0.0036630 k( 127) = ( 0.0000000 0.0000000 0.1642590), wk = 0.0036630 k( 128) = ( 0.0000000 0.0000000 0.1779472), wk = 0.0036630 k( 129) = ( 0.0000000 0.0000000 0.1916355), wk = 0.0036630 k( 130) = ( 0.0000000 0.0000000 0.1916355), wk = 0.0036630 k( 131) = ( 0.0125000 0.0072169 0.1916355), wk = 0.0036630 k( 132) = ( 0.0250000 0.0144338 0.1916355), wk = 0.0036630 k( 133) = ( 0.0375000 0.0216506 0.1916355), wk = 0.0036630 k( 134) = ( 0.0500000 0.0288675 0.1916355), wk = 0.0036630 k( 135) = ( 0.0625000 0.0360844 0.1916355), wk = 0.0036630 k( 136) = ( 0.0750000 0.0433013 0.1916355), wk = 0.0036630 k( 137) = ( 0.0875000 0.0505181 0.1916355), wk = 0.0036630 k( 138) = ( 0.1000000 0.0577350 0.1916355), wk = 0.0036630 k( 139) = ( 0.1125000 0.0649519 0.1916355), wk = 0.0036630 k( 140) = ( 0.1250000 0.0721688 0.1916355), wk = 0.0036630 k( 141) = ( 0.1375000 0.0793857 0.1916355), wk = 0.0036630 k( 142) = ( 0.1500000 0.0866025 0.1916355), wk = 0.0036630 k( 143) = ( 0.1625000 0.0938194 0.1916355), wk = 0.0036630 k( 144) = ( 0.1750000 0.1010363 0.1916355), wk = 0.0036630 k( 145) = ( 0.1875000 0.1082532 0.1916355), wk = 0.0036630 k( 146) = ( 0.2000000 0.1154701 0.1916355), wk = 0.0036630 k( 147) = ( 0.2125000 0.1226869 0.1916355), wk = 0.0036630 k( 148) = ( 0.2250000 0.1299038 0.1916355), wk = 0.0036630 k( 149) = ( 0.2375000 0.1371207 0.1916355), wk = 0.0036630 k( 150) = ( 0.2500000 0.1443376 0.1916355), wk = 0.0036630 k( 151) = ( 0.2625000 0.1515544 0.1916355), wk = 0.0036630 k( 152) = ( 0.2750000 0.1587713 0.1916355), wk = 0.0036630 k( 153) = ( 0.2875000 0.1659882 0.1916355), wk = 0.0036630 k( 154) = ( 0.3000000 0.1732051 0.1916355), wk = 0.0036630 k( 155) = ( 0.3125000 0.1804220 0.1916355), wk = 0.0036630 k( 156) = ( 0.3250000 0.1876388 0.1916355), wk = 0.0036630 k( 157) = ( 0.3375000 0.1948557 0.1916355), wk = 0.0036630 k( 158) = ( 0.3500000 0.2020726 0.1916355), wk = 0.0036630 k( 159) = ( 0.3625000 0.2092895 0.1916355), wk = 0.0036630 k( 160) = ( 0.3750000 0.2165064 0.1916355), wk = 0.0036630 k( 161) = ( 0.3875000 0.2237232 0.1916355), wk = 0.0036630 k( 162) = ( 0.4000000 0.2309401 0.1916355), wk = 0.0036630 k( 163) = ( 0.4125000 0.2381570 0.1916355), wk = 0.0036630 k( 164) = ( 0.4250000 0.2453739 0.1916355), wk = 0.0036630 k( 165) = ( 0.4375000 0.2525907 0.1916355), wk = 0.0036630 k( 166) = ( 0.4500000 0.2598076 0.1916355), wk = 0.0036630 k( 167) = ( 0.4625000 0.2670245 0.1916355), wk = 0.0036630 k( 168) = ( 0.4750000 0.2742414 0.1916355), wk = 0.0036630 k( 169) = ( 0.4875000 0.2814583 0.1916355), wk = 0.0036630 k( 170) = ( 0.5000000 0.2886751 0.1916355), wk = 0.0036630 k( 171) = ( 0.5000000 0.2886751 0.1916355), wk = 0.0036630 k( 172) = ( 0.4930556 0.3007033 0.1916355), wk = 0.0036630 k( 173) = ( 0.4861111 0.3127314 0.1916355), wk = 0.0036630 k( 174) = ( 0.4791667 0.3247595 0.1916355), wk = 0.0036630 k( 175) = ( 0.4722222 0.3367877 0.1916355), wk = 0.0036630 k( 176) = ( 0.4652778 0.3488158 0.1916355), wk = 0.0036630 k( 177) = ( 0.4583333 0.3608439 0.1916355), wk = 0.0036630 k( 178) = ( 0.4513889 0.3728720 0.1916355), wk = 0.0036630 k( 179) = ( 0.4444444 0.3849002 0.1916355), wk = 0.0036630 k( 180) = ( 0.4375000 0.3969283 0.1916355), wk = 0.0036630 k( 181) = ( 0.4305556 0.4089564 0.1916355), wk = 0.0036630 k( 182) = ( 0.4236111 0.4209846 0.1916355), wk = 0.0036630 k( 183) = ( 0.4166667 0.4330127 0.1916355), wk = 0.0036630 k( 184) = ( 0.4097222 0.4450408 0.1916355), wk = 0.0036630 k( 185) = ( 0.4027778 0.4570690 0.1916355), wk = 0.0036630 k( 186) = ( 0.3958333 0.4690971 0.1916355), wk = 0.0036630 k( 187) = ( 0.3888889 0.4811252 0.1916355), wk = 0.0036630 k( 188) = ( 0.3819444 0.4931534 0.1916355), wk = 0.0036630 k( 189) = ( 0.3750000 0.5051815 0.1916355), wk = 0.0036630 k( 190) = ( 0.3680556 0.5172096 0.1916355), wk = 0.0036630 k( 191) = ( 0.3611111 0.5292377 0.1916355), wk = 0.0036630 k( 192) = ( 0.3541667 0.5412659 0.1916355), wk = 0.0036630 k( 193) = ( 0.3472222 0.5532940 0.1916355), wk = 0.0036630 k( 194) = ( 0.3402778 0.5653221 0.1916355), wk = 0.0036630 k( 195) = ( 0.3333333 0.5773503 0.1916355), wk = 0.0036630 k( 196) = ( 0.3333333 0.5773503 0.1916355), wk = 0.0036630 k( 197) = ( 0.3262411 0.5650662 0.1916355), wk = 0.0036630 k( 198) = ( 0.3191489 0.5527822 0.1916355), wk = 0.0036630 k( 199) = ( 0.3120567 0.5404981 0.1916355), wk = 0.0036630 k( 200) = ( 0.3049645 0.5282141 0.1916355), wk = 0.0036630 k( 201) = ( 0.2978723 0.5159300 0.1916355), wk = 0.0036630 k( 202) = ( 0.2907801 0.5036460 0.1916355), wk = 0.0036630 k( 203) = ( 0.2836879 0.4913619 0.1916355), wk = 0.0036630 k( 204) = ( 0.2765957 0.4790779 0.1916355), wk = 0.0036630 k( 205) = ( 0.2695035 0.4667938 0.1916355), wk = 0.0036630 k( 206) = ( 0.2624113 0.4545098 0.1916355), wk = 0.0036630 k( 207) = ( 0.2553191 0.4422257 0.1916355), wk = 0.0036630 k( 208) = ( 0.2482270 0.4299417 0.1916355), wk = 0.0036630 k( 209) = ( 0.2411348 0.4176576 0.1916355), wk = 0.0036630 k( 210) = ( 0.2340425 0.4053736 0.1916355), wk = 0.0036630 k( 211) = ( 0.2269503 0.3930895 0.1916355), wk = 0.0036630 k( 212) = ( 0.2198582 0.3808055 0.1916355), wk = 0.0036630 k( 213) = ( 0.2127660 0.3685215 0.1916355), wk = 0.0036630 k( 214) = ( 0.2056738 0.3562374 0.1916355), wk = 0.0036630 k( 215) = ( 0.1985816 0.3439534 0.1916355), wk = 0.0036630 k( 216) = ( 0.1914894 0.3316693 0.1916355), wk = 0.0036630 k( 217) = ( 0.1843972 0.3193852 0.1916355), wk = 0.0036630 k( 218) = ( 0.1773050 0.3071012 0.1916355), wk = 0.0036630 k( 219) = ( 0.1702128 0.2948172 0.1916355), wk = 0.0036630 k( 220) = ( 0.1631206 0.2825331 0.1916355), wk = 0.0036630 k( 221) = ( 0.1560284 0.2702491 0.1916355), wk = 0.0036630 k( 222) = ( 0.1489362 0.2579650 0.1916355), wk = 0.0036630 k( 223) = ( 0.1418440 0.2456810 0.1916355), wk = 0.0036630 k( 224) = ( 0.1347518 0.2333969 0.1916355), wk = 0.0036630 k( 225) = ( 0.1276596 0.2211129 0.1916355), wk = 0.0036630 k( 226) = ( 0.1205674 0.2088288 0.1916355), wk = 0.0036630 k( 227) = ( 0.1134752 0.1965448 0.1916355), wk = 0.0036630 k( 228) = ( 0.1063830 0.1842607 0.1916355), wk = 0.0036630 k( 229) = ( 0.0992908 0.1719767 0.1916355), wk = 0.0036630 k( 230) = ( 0.0921986 0.1596926 0.1916355), wk = 0.0036630 k( 231) = ( 0.0851064 0.1474086 0.1916355), wk = 0.0036630 k( 232) = ( 0.0780142 0.1351245 0.1916355), wk = 0.0036630 k( 233) = ( 0.0709220 0.1228405 0.1916355), wk = 0.0036630 k( 234) = ( 0.0638298 0.1105564 0.1916355), wk = 0.0036630 k( 235) = ( 0.0567376 0.0982724 0.1916355), wk = 0.0036630 k( 236) = ( 0.0496454 0.0859883 0.1916355), wk = 0.0036630 k( 237) = ( 0.0425532 0.0737043 0.1916355), wk = 0.0036630 k( 238) = ( 0.0354610 0.0614202 0.1916355), wk = 0.0036630 k( 239) = ( 0.0283688 0.0491362 0.1916355), wk = 0.0036630 k( 240) = ( 0.0212766 0.0368522 0.1916355), wk = 0.0036630 k( 241) = ( 0.0141844 0.0245681 0.1916355), wk = 0.0036630 k( 242) = ( 0.0070922 0.0122841 0.1916355), wk = 0.0036630 k( 243) = ( 0.0000000 0.0000000 0.1916355), wk = 0.0036630 k( 244) = ( 0.5000000 0.2886751 0.1916355), wk = 0.0036630 k( 245) = ( 0.5000000 0.2886751 0.1779472), wk = 0.0036630 k( 246) = ( 0.5000000 0.2886751 0.1642590), wk = 0.0036630 k( 247) = ( 0.5000000 0.2886751 0.1505707), wk = 0.0036630 k( 248) = ( 0.5000000 0.2886751 0.1368825), wk = 0.0036630 k( 249) = ( 0.5000000 0.2886751 0.1231942), wk = 0.0036630 k( 250) = ( 0.5000000 0.2886751 0.1095060), wk = 0.0036630 k( 251) = ( 0.5000000 0.2886751 0.0958177), wk = 0.0036630 k( 252) = ( 0.5000000 0.2886751 0.0821295), wk = 0.0036630 k( 253) = ( 0.5000000 0.2886751 0.0684412), wk = 0.0036630 k( 254) = ( 0.5000000 0.2886751 0.0547530), wk = 0.0036630 k( 255) = ( 0.5000000 0.2886751 0.0410647), wk = 0.0036630 k( 256) = ( 0.5000000 0.2886751 0.0273765), wk = 0.0036630 k( 257) = ( 0.5000000 0.2886751 0.0136883), wk = 0.0036630 k( 258) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036630 k( 259) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036630 k( 260) = ( 0.3333333 0.5773503 0.0136883), wk = 0.0036630 k( 261) = ( 0.3333333 0.5773503 0.0273765), wk = 0.0036630 k( 262) = ( 0.3333333 0.5773503 0.0410647), wk = 0.0036630 k( 263) = ( 0.3333333 0.5773503 0.0547530), wk = 0.0036630 k( 264) = ( 0.3333333 0.5773503 0.0684412), wk = 0.0036630 k( 265) = ( 0.3333333 0.5773503 0.0821295), wk = 0.0036630 k( 266) = ( 0.3333333 0.5773503 0.0958177), wk = 0.0036630 k( 267) = ( 0.3333333 0.5773503 0.1095060), wk = 0.0036630 k( 268) = ( 0.3333333 0.5773503 0.1231942), wk = 0.0036630 k( 269) = ( 0.3333333 0.5773503 0.1368825), wk = 0.0036630 k( 270) = ( 0.3333333 0.5773503 0.1505707), wk = 0.0036630 k( 271) = ( 0.3333333 0.5773503 0.1642590), wk = 0.0036630 k( 272) = ( 0.3333333 0.5773503 0.1779472), wk = 0.0036630 k( 273) = ( 0.3333333 0.5773503 0.1916355), wk = 0.0036630 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0125000 0.0000000 0.0000000), wk = 0.0036630 k( 3) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0036630 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0036630 k( 5) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0036630 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0036630 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0036630 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0036630 k( 9) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0036630 k( 10) = ( 0.1125000 0.0000000 0.0000000), wk = 0.0036630 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0036630 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0036630 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0036630 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0036630 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0036630 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0036630 k( 17) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0036630 k( 18) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0036630 k( 19) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0036630 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0036630 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0036630 k( 22) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0036630 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0036630 k( 24) = ( 0.2875000 0.0000000 0.0000000), wk = 0.0036630 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0036630 k( 26) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0036630 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0036630 k( 28) = ( 0.3375000 0.0000000 0.0000000), wk = 0.0036630 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0036630 k( 30) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0036630 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0036630 k( 32) = ( 0.3875000 0.0000000 -0.0000000), wk = 0.0036630 k( 33) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0036630 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0036630 k( 35) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0036630 k( 36) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0036630 k( 37) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0036630 k( 38) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0036630 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0036630 k( 40) = ( 0.4875000 0.0000000 0.0000000), wk = 0.0036630 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036630 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036630 k( 43) = ( 0.4930556 0.0138889 0.0000000), wk = 0.0036630 k( 44) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0036630 k( 45) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0036630 k( 46) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0036630 k( 47) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0036630 k( 48) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0036630 k( 49) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0036630 k( 50) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0036630 k( 51) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0036630 k( 52) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0036630 k( 53) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0036630 k( 54) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0036630 k( 55) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0036630 k( 56) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0036630 k( 57) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0036630 k( 58) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0036630 k( 59) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0036630 k( 60) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0036630 k( 61) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0036630 k( 62) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0036630 k( 63) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0036630 k( 64) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0036630 k( 65) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0036630 k( 66) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036630 k( 67) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036630 k( 68) = ( 0.3262411 0.3262411 -0.0000000), wk = 0.0036630 k( 69) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0036630 k( 70) = ( 0.3120567 0.3120567 0.0000000), wk = 0.0036630 k( 71) = ( 0.3049645 0.3049645 0.0000000), wk = 0.0036630 k( 72) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0036630 k( 73) = ( 0.2907801 0.2907801 0.0000000), wk = 0.0036630 k( 74) = ( 0.2836879 0.2836879 0.0000000), wk = 0.0036630 k( 75) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0036630 k( 76) = ( 0.2695035 0.2695036 0.0000000), wk = 0.0036630 k( 77) = ( 0.2624113 0.2624114 0.0000000), wk = 0.0036630 k( 78) = ( 0.2553191 0.2553192 0.0000000), wk = 0.0036630 k( 79) = ( 0.2482270 0.2482270 0.0000000), wk = 0.0036630 k( 80) = ( 0.2411348 0.2411348 -0.0000000), wk = 0.0036630 k( 81) = ( 0.2340425 0.2340426 -0.0000000), wk = 0.0036630 k( 82) = ( 0.2269503 0.2269504 -0.0000000), wk = 0.0036630 k( 83) = ( 0.2198582 0.2198582 0.0000000), wk = 0.0036630 k( 84) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0036630 k( 85) = ( 0.2056738 0.2056738 0.0000000), wk = 0.0036630 k( 86) = ( 0.1985816 0.1985816 0.0000000), wk = 0.0036630 k( 87) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0036630 k( 88) = ( 0.1843972 0.1843972 -0.0000000), wk = 0.0036630 k( 89) = ( 0.1773050 0.1773050 -0.0000000), wk = 0.0036630 k( 90) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0036630 k( 91) = ( 0.1631206 0.1631206 0.0000000), wk = 0.0036630 k( 92) = ( 0.1560284 0.1560284 0.0000000), wk = 0.0036630 k( 93) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0036630 k( 94) = ( 0.1418440 0.1418440 0.0000000), wk = 0.0036630 k( 95) = ( 0.1347518 0.1347518 0.0000000), wk = 0.0036630 k( 96) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0036630 k( 97) = ( 0.1205674 0.1205674 0.0000000), wk = 0.0036630 k( 98) = ( 0.1134752 0.1134752 0.0000000), wk = 0.0036630 k( 99) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0036630 k( 100) = ( 0.0992908 0.0992908 0.0000000), wk = 0.0036630 k( 101) = ( 0.0921986 0.0921986 -0.0000000), wk = 0.0036630 k( 102) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0036630 k( 103) = ( 0.0780142 0.0780142 0.0000000), wk = 0.0036630 k( 104) = ( 0.0709220 0.0709220 0.0000000), wk = 0.0036630 k( 105) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0036630 k( 106) = ( 0.0567376 0.0567376 0.0000000), wk = 0.0036630 k( 107) = ( 0.0496454 0.0496454 0.0000000), wk = 0.0036630 k( 108) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0036630 k( 109) = ( 0.0354610 0.0354610 0.0000000), wk = 0.0036630 k( 110) = ( 0.0283688 0.0283688 0.0000000), wk = 0.0036630 k( 111) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0036630 k( 112) = ( 0.0141844 0.0141844 0.0000000), wk = 0.0036630 k( 113) = ( 0.0070922 0.0070922 0.0000000), wk = 0.0036630 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 116) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0036630 k( 117) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0036630 k( 118) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0036630 k( 119) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0036630 k( 120) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0036630 k( 121) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0036630 k( 122) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036630 k( 123) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0036630 k( 124) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0036630 k( 125) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0036630 k( 126) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0036630 k( 127) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0036630 k( 128) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0036630 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 131) = ( 0.0125000 0.0000000 0.5000000), wk = 0.0036630 k( 132) = ( 0.0250000 0.0000000 0.5000000), wk = 0.0036630 k( 133) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0036630 k( 134) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0036630 k( 135) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0036630 k( 136) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0036630 k( 137) = ( 0.0875000 0.0000000 0.5000000), wk = 0.0036630 k( 138) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0036630 k( 139) = ( 0.1125000 0.0000000 0.5000000), wk = 0.0036630 k( 140) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0036630 k( 141) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0036630 k( 142) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0036630 k( 143) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0036630 k( 144) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0036630 k( 145) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0036630 k( 146) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0036630 k( 147) = ( 0.2125000 0.0000000 0.5000000), wk = 0.0036630 k( 148) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0036630 k( 149) = ( 0.2375000 0.0000000 0.5000000), wk = 0.0036630 k( 150) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0036630 k( 151) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0036630 k( 152) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0036630 k( 153) = ( 0.2875000 0.0000000 0.5000000), wk = 0.0036630 k( 154) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0036630 k( 155) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0036630 k( 156) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0036630 k( 157) = ( 0.3375000 0.0000000 0.5000000), wk = 0.0036630 k( 158) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0036630 k( 159) = ( 0.3625000 0.0000000 0.5000000), wk = 0.0036630 k( 160) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0036630 k( 161) = ( 0.3875000 0.0000000 0.5000000), wk = 0.0036630 k( 162) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0036630 k( 163) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0036630 k( 164) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0036630 k( 165) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0036630 k( 166) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0036630 k( 167) = ( 0.4625000 0.0000000 0.5000000), wk = 0.0036630 k( 168) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0036630 k( 169) = ( 0.4875000 0.0000000 0.5000000), wk = 0.0036630 k( 170) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036630 k( 171) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036630 k( 172) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0036630 k( 173) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0036630 k( 174) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0036630 k( 175) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0036630 k( 176) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0036630 k( 177) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0036630 k( 178) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0036630 k( 179) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0036630 k( 180) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0036630 k( 181) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0036630 k( 182) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0036630 k( 183) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0036630 k( 184) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0036630 k( 185) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0036630 k( 186) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0036630 k( 187) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0036630 k( 188) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0036630 k( 189) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0036630 k( 190) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0036630 k( 191) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0036630 k( 192) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0036630 k( 193) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0036630 k( 194) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0036630 k( 195) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036630 k( 196) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036630 k( 197) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0036630 k( 198) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0036630 k( 199) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0036630 k( 200) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0036630 k( 201) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0036630 k( 202) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0036630 k( 203) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0036630 k( 204) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0036630 k( 205) = ( 0.2695035 0.2695036 0.5000000), wk = 0.0036630 k( 206) = ( 0.2624113 0.2624114 0.5000000), wk = 0.0036630 k( 207) = ( 0.2553191 0.2553192 0.5000000), wk = 0.0036630 k( 208) = ( 0.2482270 0.2482270 0.5000000), wk = 0.0036630 k( 209) = ( 0.2411348 0.2411348 0.5000000), wk = 0.0036630 k( 210) = ( 0.2340425 0.2340426 0.5000000), wk = 0.0036630 k( 211) = ( 0.2269503 0.2269504 0.5000000), wk = 0.0036630 k( 212) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0036630 k( 213) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0036630 k( 214) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0036630 k( 215) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0036630 k( 216) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0036630 k( 217) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0036630 k( 218) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0036630 k( 219) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0036630 k( 220) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0036630 k( 221) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0036630 k( 222) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0036630 k( 223) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0036630 k( 224) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0036630 k( 225) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0036630 k( 226) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0036630 k( 227) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0036630 k( 228) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0036630 k( 229) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0036630 k( 230) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0036630 k( 231) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0036630 k( 232) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0036630 k( 233) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0036630 k( 234) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0036630 k( 235) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0036630 k( 236) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0036630 k( 237) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0036630 k( 238) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0036630 k( 239) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0036630 k( 240) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0036630 k( 241) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0036630 k( 242) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0036630 k( 243) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 244) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036630 k( 245) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0036630 k( 246) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0036630 k( 247) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0036630 k( 248) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0036630 k( 249) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0036630 k( 250) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0036630 k( 251) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0036630 k( 252) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0036630 k( 253) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0036630 k( 254) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0036630 k( 255) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0036630 k( 256) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0036630 k( 257) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0036630 k( 258) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036630 k( 259) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036630 k( 260) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0036630 k( 261) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0036630 k( 262) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0036630 k( 263) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0036630 k( 264) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0036630 k( 265) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0036630 k( 266) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0036630 k( 267) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0036630 k( 268) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0036630 k( 269) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0036630 k( 270) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0036630 k( 271) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0036630 k( 272) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0036630 k( 273) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036630 Dense grid: 235011 G-vectors FFT dimensions: ( 60, 60, 160) Smooth grid: 60103 G-vectors FFT dimensions: ( 40, 40, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 216, 38) NL pseudopotentials 0.11 Mb ( 108, 68) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.02 Mb ( 3262) G-vector shells 0.01 Mb ( 1588) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 216, 152) Each subspace H/S matrix 0.01 Mb ( 25, 25) Each matrix 0.08 Mb ( 68, 2, 38) The potential is recalculated from file : ./Bi.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.3 secs Computing kpt #: 7 total cpu time spent up to now is 4.7 secs Computing kpt #: 8 total cpu time spent up to now is 5.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.1 secs Computing kpt #: 10 total cpu time spent up to now is 6.5 secs Computing kpt #: 11 total cpu time spent up to now is 7.0 secs Computing kpt #: 12 total cpu time spent up to now is 7.4 secs Computing kpt #: 13 total cpu time spent up to now is 7.9 secs Computing kpt #: 14 total cpu time spent up to now is 8.3 secs Computing kpt #: 15 total cpu time spent up to now is 8.7 secs Computing kpt #: 16 total cpu time spent up to now is 9.2 secs Computing kpt #: 17 total cpu time spent up to now is 9.6 secs Computing kpt #: 18 total cpu time spent up to now is 10.0 secs Computing kpt #: 19 total cpu time spent up to now is 10.5 secs Computing kpt #: 20 total cpu time spent up to now is 10.9 secs Computing kpt #: 21 total cpu time spent up to now is 11.4 secs Computing kpt #: 22 total cpu time spent up to now is 11.8 secs Computing kpt #: 23 total cpu time spent up to now is 12.3 secs Computing kpt #: 24 total cpu time spent up to now is 12.8 secs Computing kpt #: 25 total cpu time spent up to now is 13.3 secs Computing kpt #: 26 total cpu time spent up to now is 13.8 secs Computing kpt #: 27 total cpu time spent up to now is 14.3 secs Computing kpt #: 28 total cpu time spent up to now is 14.8 secs Computing kpt #: 29 total cpu time spent up to now is 15.4 secs Computing kpt #: 30 total cpu time spent up to now is 15.9 secs Computing kpt #: 31 total cpu time spent up to now is 16.4 secs Computing kpt #: 32 total cpu time spent up to now is 16.9 secs Computing kpt #: 33 total cpu time spent up to now is 17.6 secs Computing kpt #: 34 total cpu time spent up to now is 18.2 secs Computing kpt #: 35 total cpu time spent up to now is 18.9 secs Computing kpt #: 36 total cpu time spent up to now is 19.6 secs Computing kpt #: 37 total cpu time spent up to now is 20.2 secs Computing kpt #: 38 total cpu time spent up to now is 20.8 secs Computing kpt #: 39 total cpu time spent up to now is 21.5 secs Computing kpt #: 40 total cpu time spent up to now is 22.0 secs Computing kpt #: 41 total cpu time spent up to now is 22.5 secs Computing kpt #: 42 total cpu time spent up to now is 23.1 secs Computing kpt #: 43 total cpu time spent up to now is 23.6 secs Computing kpt #: 44 total cpu time spent up to now is 24.0 secs Computing kpt #: 45 total cpu time spent up to now is 24.5 secs Computing kpt #: 46 total cpu time spent up to now is 25.1 secs Computing kpt #: 47 total cpu time spent up to now is 25.6 secs Computing kpt #: 48 total cpu time spent up to now is 26.1 secs Computing kpt #: 49 total cpu time spent up to now is 26.6 secs Computing kpt #: 50 total cpu time spent up to now is 27.2 secs Computing kpt #: 51 total cpu time spent up to now is 27.7 secs Computing kpt #: 52 total cpu time spent up to now is 28.2 secs Computing kpt #: 53 total cpu time spent up to now is 28.7 secs Computing kpt #: 54 total cpu time spent up to now is 29.2 secs Computing kpt #: 55 total cpu time spent up to now is 29.8 secs Computing kpt #: 56 total cpu time spent up to now is 30.4 secs Computing kpt #: 57 total cpu time spent up to now is 30.9 secs Computing kpt #: 58 total cpu time spent up to now is 31.5 secs Computing kpt #: 59 total cpu time spent up to now is 32.1 secs Computing kpt #: 60 total cpu time spent up to now is 32.7 secs Computing kpt #: 61 total cpu time spent up to now is 33.3 secs Computing kpt #: 62 total cpu time spent up to now is 33.9 secs Computing kpt #: 63 total cpu time spent up to now is 34.5 secs Computing kpt #: 64 total cpu time spent up to now is 35.2 secs Computing kpt #: 65 total cpu time spent up to now is 35.9 secs Computing kpt #: 66 total cpu time spent up to now is 36.7 secs Computing kpt #: 67 total cpu time spent up to now is 37.5 secs Computing kpt #: 68 total cpu time spent up to now is 38.2 secs Computing kpt #: 69 total cpu time spent up to now is 38.9 secs Computing kpt #: 70 total cpu time spent up to now is 39.7 secs Computing kpt #: 71 total cpu time spent up to now is 40.3 secs Computing kpt #: 72 total cpu time spent up to now is 40.9 secs Computing kpt #: 73 total cpu time spent up to now is 41.6 secs Computing kpt #: 74 total cpu time spent up to now is 42.2 secs Computing kpt #: 75 total cpu time spent up to now is 42.7 secs Computing kpt #: 76 total cpu time spent up to now is 43.2 secs Computing kpt #: 77 total cpu time spent up to now is 43.7 secs Computing kpt #: 78 total cpu time spent up to now is 44.3 secs Computing kpt #: 79 total cpu time spent up to now is 44.9 secs Computing kpt #: 80 total cpu time spent up to now is 45.6 secs Computing kpt #: 81 total cpu time spent up to now is 46.2 secs Computing kpt #: 82 total cpu time spent up to now is 46.7 secs Computing kpt #: 83 total cpu time spent up to now is 47.3 secs Computing kpt #: 84 total cpu time spent up to now is 47.8 secs Computing kpt #: 85 total cpu time spent up to now is 48.3 secs Computing kpt #: 86 total cpu time spent up to now is 48.8 secs Computing kpt #: 87 total cpu time spent up to now is 49.3 secs Computing kpt #: 88 total cpu time spent up to now is 49.7 secs Computing kpt #: 89 total cpu time spent up to now is 50.2 secs Computing kpt #: 90 total cpu time spent up to now is 50.7 secs Computing kpt #: 91 total cpu time spent up to now is 51.1 secs Computing kpt #: 92 total cpu time spent up to now is 51.6 secs Computing kpt #: 93 total cpu time spent up to now is 52.1 secs Computing kpt #: 94 total cpu time spent up to now is 52.5 secs Computing kpt #: 95 total cpu time spent up to now is 52.9 secs Computing kpt #: 96 total cpu time spent up to now is 53.4 secs Computing kpt #: 97 total cpu time spent up to now is 53.8 secs Computing kpt #: 98 total cpu time spent up to now is 54.2 secs Computing kpt #: 99 total cpu time spent up to now is 54.6 secs Computing kpt #: 100 total cpu time spent up to now is 55.1 secs Computing kpt #: 101 total cpu time spent up to now is 55.5 secs Computing kpt #: 102 total cpu time spent up to now is 55.9 secs Computing kpt #: 103 total cpu time spent up to now is 56.3 secs Computing kpt #: 104 total cpu time spent up to now is 56.8 secs Computing kpt #: 105 total cpu time spent up to now is 57.2 secs Computing kpt #: 106 total cpu time spent up to now is 57.7 secs Computing kpt #: 107 total cpu time spent up to now is 58.1 secs Computing kpt #: 108 total cpu time spent up to now is 58.5 secs Computing kpt #: 109 total cpu time spent up to now is 59.0 secs Computing kpt #: 110 total cpu time spent up to now is 59.4 secs Computing kpt #: 111 total cpu time spent up to now is 59.8 secs Computing kpt #: 112 total cpu time spent up to now is 60.3 secs Computing kpt #: 113 total cpu time spent up to now is 60.8 secs Computing kpt #: 114 total cpu time spent up to now is 61.2 secs Computing kpt #: 115 total cpu time spent up to now is 61.6 secs Computing kpt #: 116 total cpu time spent up to now is 62.0 secs Computing kpt #: 117 total cpu time spent up to now is 62.4 secs Computing kpt #: 118 total cpu time spent up to now is 62.9 secs Computing kpt #: 119 total cpu time spent up to now is 63.3 secs Computing kpt #: 120 total cpu time spent up to now is 63.8 secs Computing kpt #: 121 total cpu time spent up to now is 64.2 secs Computing kpt #: 122 total cpu time spent up to now is 64.6 secs Computing kpt #: 123 total cpu time spent up to now is 65.0 secs Computing kpt #: 124 total cpu time spent up to now is 65.4 secs Computing kpt #: 125 total cpu time spent up to now is 65.8 secs Computing kpt #: 126 total cpu time spent up to now is 66.2 secs Computing kpt #: 127 total cpu time spent up to now is 66.7 secs Computing kpt #: 128 total cpu time spent up to now is 67.1 secs Computing kpt #: 129 total cpu time spent up to now is 67.5 secs Computing kpt #: 130 total cpu time spent up to now is 68.0 secs Computing kpt #: 131 total cpu time spent up to now is 68.4 secs Computing kpt #: 132 total cpu time spent up to now is 68.9 secs Computing kpt #: 133 total cpu time spent up to now is 69.3 secs Computing kpt #: 134 total cpu time spent up to now is 69.7 secs Computing kpt #: 135 total cpu time spent up to now is 70.2 secs Computing kpt #: 136 total cpu time spent up to now is 70.6 secs Computing kpt #: 137 total cpu time spent up to now is 71.1 secs Computing kpt #: 138 total cpu time spent up to now is 71.5 secs Computing kpt #: 139 total cpu time spent up to now is 72.0 secs Computing kpt #: 140 total cpu time spent up to now is 72.5 secs Computing kpt #: 141 total cpu time spent up to now is 72.9 secs Computing kpt #: 142 total cpu time spent up to now is 73.4 secs Computing kpt #: 143 total cpu time spent up to now is 73.9 secs Computing kpt #: 144 total cpu time spent up to now is 74.4 secs Computing kpt #: 145 total cpu time spent up to now is 74.8 secs Computing kpt #: 146 total cpu time spent up to now is 75.3 secs Computing kpt #: 147 total cpu time spent up to now is 75.8 secs Computing kpt #: 148 total cpu time spent up to now is 76.2 secs Computing kpt #: 149 total cpu time spent up to now is 76.7 secs Computing kpt #: 150 total cpu time spent up to now is 77.2 secs Computing kpt #: 151 total cpu time spent up to now is 77.6 secs Computing kpt #: 152 total cpu time spent up to now is 78.1 secs Computing kpt #: 153 total cpu time spent up to now is 78.6 secs Computing kpt #: 154 total cpu time spent up to now is 79.1 secs Computing kpt #: 155 total cpu time spent up to now is 79.6 secs Computing kpt #: 156 total cpu time spent up to now is 80.1 secs Computing kpt #: 157 total cpu time spent up to now is 80.7 secs Computing kpt #: 158 total cpu time spent up to now is 81.2 secs Computing kpt #: 159 total cpu time spent up to now is 81.7 secs Computing kpt #: 160 total cpu time spent up to now is 82.3 secs Computing kpt #: 161 total cpu time spent up to now is 82.8 secs Computing kpt #: 162 total cpu time spent up to now is 83.3 secs Computing kpt #: 163 total cpu time spent up to now is 83.9 secs Computing kpt #: 164 total cpu time spent up to now is 84.3 secs Computing kpt #: 165 total cpu time spent up to now is 84.9 secs Computing kpt #: 166 total cpu time spent up to now is 85.4 secs Computing kpt #: 167 total cpu time spent up to now is 85.9 secs Computing kpt #: 168 total cpu time spent up to now is 86.4 secs Computing kpt #: 169 total cpu time spent up to now is 86.9 secs Computing kpt #: 170 total cpu time spent up to now is 87.5 secs Computing kpt #: 171 total cpu time spent up to now is 88.0 secs Computing kpt #: 172 total cpu time spent up to now is 88.7 secs Computing kpt #: 173 total cpu time spent up to now is 89.4 secs Computing kpt #: 174 total cpu time spent up to now is 90.0 secs Computing kpt #: 175 total cpu time spent up to now is 90.6 secs Computing kpt #: 176 total cpu time spent up to now is 91.3 secs Computing kpt #: 177 total cpu time spent up to now is 92.0 secs Computing kpt #: 178 total cpu time spent up to now is 92.6 secs Computing kpt #: 179 total cpu time spent up to now is 93.3 secs Computing kpt #: 180 total cpu time spent up to now is 94.0 secs Computing kpt #: 181 total cpu time spent up to now is 94.6 secs Computing kpt #: 182 total cpu time spent up to now is 95.3 secs Computing kpt #: 183 total cpu time spent up to now is 95.9 secs Computing kpt #: 184 total cpu time spent up to now is 96.6 secs Computing kpt #: 185 total cpu time spent up to now is 97.2 secs Computing kpt #: 186 total cpu time spent up to now is 97.9 secs Computing kpt #: 187 total cpu time spent up to now is 98.6 secs Computing kpt #: 188 total cpu time spent up to now is 99.6 secs Computing kpt #: 189 total cpu time spent up to now is 100.3 secs Computing kpt #: 190 total cpu time spent up to now is 101.3 secs Computing kpt #: 191 total cpu time spent up to now is 102.4 secs Computing kpt #: 192 total cpu time spent up to now is 103.4 secs Computing kpt #: 193 total cpu time spent up to now is 104.5 secs Computing kpt #: 194 total cpu time spent up to now is 105.5 secs Computing kpt #: 195 total cpu time spent up to now is 106.5 secs Computing kpt #: 196 total cpu time spent up to now is 107.6 secs Computing kpt #: 197 total cpu time spent up to now is 108.6 secs Computing kpt #: 198 total cpu time spent up to now is 109.6 secs Computing kpt #: 199 total cpu time spent up to now is 110.6 secs Computing kpt #: 200 total cpu time spent up to now is 111.8 secs Computing kpt #: 201 total cpu time spent up to now is 112.8 secs Computing kpt #: 202 total cpu time spent up to now is 113.5 secs Computing kpt #: 203 total cpu time spent up to now is 114.1 secs Computing kpt #: 204 total cpu time spent up to now is 114.8 secs Computing kpt #: 205 total cpu time spent up to now is 115.4 secs Computing kpt #: 206 total cpu time spent up to now is 116.0 secs Computing kpt #: 207 total cpu time spent up to now is 116.6 secs Computing kpt #: 208 total cpu time spent up to now is 117.3 secs Computing kpt #: 209 total cpu time spent up to now is 117.9 secs Computing kpt #: 210 total cpu time spent up to now is 118.6 secs Computing kpt #: 211 total cpu time spent up to now is 119.4 secs Computing kpt #: 212 total cpu time spent up to now is 120.2 secs Computing kpt #: 213 total cpu time spent up to now is 120.8 secs Computing kpt #: 214 total cpu time spent up to now is 121.4 secs Computing kpt #: 215 total cpu time spent up to now is 122.0 secs Computing kpt #: 216 total cpu time spent up to now is 122.6 secs Computing kpt #: 217 total cpu time spent up to now is 123.2 secs Computing kpt #: 218 total cpu time spent up to now is 123.9 secs Computing kpt #: 219 total cpu time spent up to now is 124.5 secs Computing kpt #: 220 total cpu time spent up to now is 125.2 secs Computing kpt #: 221 total cpu time spent up to now is 125.8 secs Computing kpt #: 222 total cpu time spent up to now is 126.5 secs Computing kpt #: 223 total cpu time spent up to now is 127.1 secs Computing kpt #: 224 total cpu time spent up to now is 127.6 secs Computing kpt #: 225 total cpu time spent up to now is 128.2 secs Computing kpt #: 226 total cpu time spent up to now is 128.8 secs Computing kpt #: 227 total cpu time spent up to now is 129.3 secs Computing kpt #: 228 total cpu time spent up to now is 129.8 secs Computing kpt #: 229 total cpu time spent up to now is 130.4 secs Computing kpt #: 230 total cpu time spent up to now is 130.9 secs Computing kpt #: 231 total cpu time spent up to now is 131.5 secs Computing kpt #: 232 total cpu time spent up to now is 132.0 secs Computing kpt #: 233 total cpu time spent up to now is 132.5 secs Computing kpt #: 234 total cpu time spent up to now is 133.1 secs Computing kpt #: 235 total cpu time spent up to now is 133.7 secs Computing kpt #: 236 total cpu time spent up to now is 134.2 secs Computing kpt #: 237 total cpu time spent up to now is 134.7 secs Computing kpt #: 238 total cpu time spent up to now is 135.3 secs Computing kpt #: 239 total cpu time spent up to now is 137.8 secs Computing kpt #: 240 total cpu time spent up to now is 138.3 secs Computing kpt #: 241 total cpu time spent up to now is 138.7 secs Computing kpt #: 242 total cpu time spent up to now is 139.1 secs Computing kpt #: 243 total cpu time spent up to now is 139.5 secs Computing kpt #: 244 total cpu time spent up to now is 140.0 secs Computing kpt #: 245 total cpu time spent up to now is 140.7 secs Computing kpt #: 246 total cpu time spent up to now is 141.4 secs Computing kpt #: 247 total cpu time spent up to now is 142.0 secs Computing kpt #: 248 total cpu time spent up to now is 142.7 secs Computing kpt #: 249 total cpu time spent up to now is 143.3 secs Computing kpt #: 250 total cpu time spent up to now is 143.8 secs Computing kpt #: 251 total cpu time spent up to now is 144.4 secs Computing kpt #: 252 total cpu time spent up to now is 144.9 secs Computing kpt #: 253 total cpu time spent up to now is 145.5 secs Computing kpt #: 254 total cpu time spent up to now is 146.0 secs Computing kpt #: 255 total cpu time spent up to now is 146.5 secs Computing kpt #: 256 total cpu time spent up to now is 147.1 secs Computing kpt #: 257 total cpu time spent up to now is 147.6 secs Computing kpt #: 258 total cpu time spent up to now is 148.1 secs Computing kpt #: 259 total cpu time spent up to now is 148.8 secs Computing kpt #: 260 total cpu time spent up to now is 149.4 secs Computing kpt #: 261 total cpu time spent up to now is 150.1 secs Computing kpt #: 262 total cpu time spent up to now is 150.7 secs Computing kpt #: 263 total cpu time spent up to now is 151.4 secs Computing kpt #: 264 total cpu time spent up to now is 152.2 secs Computing kpt #: 265 total cpu time spent up to now is 153.0 secs Computing kpt #: 266 total cpu time spent up to now is 153.7 secs Computing kpt #: 267 total cpu time spent up to now is 154.5 secs Computing kpt #: 268 total cpu time spent up to now is 155.5 secs Computing kpt #: 269 total cpu time spent up to now is 157.1 secs Computing kpt #: 270 total cpu time spent up to now is 158.9 secs Computing kpt #: 271 total cpu time spent up to now is 160.1 secs Computing kpt #: 272 total cpu time spent up to now is 161.2 secs Computing kpt #: 273 total cpu time spent up to now is 162.3 secs ethr = 3.33E-08, avg # of iterations = 21.7 total cpu time spent up to now is 162.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7513 PWs) bands (ev): -23.5467 -23.5467 -23.5467 -23.5467 -23.5405 -23.5405 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.6026 -9.6026 -9.5904 -9.5904 -0.9564 -0.9564 -0.6405 -0.6405 1.2285 1.2285 1.5303 1.5303 2.6611 2.6611 2.6781 2.6781 3.2884 3.2884 k = 0.0125 0.0072-0.0000 ( 7507 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5405 -23.5405 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.6021 -9.6021 -9.5899 -9.5899 -0.9561 -0.9561 -0.6408 -0.6408 1.2257 1.2257 1.5272 1.5272 2.6541 2.6541 2.6677 2.6677 3.2978 3.2978 k = 0.0250 0.0144-0.0000 ( 7490 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5405 -23.5405 -23.5404 -23.5404 -20.5579 -20.5579 -20.5579 -20.5579 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.6006 -9.6006 -9.5884 -9.5884 -0.9552 -0.9552 -0.6415 -0.6415 1.2175 1.2175 1.5182 1.5182 2.6336 2.6336 2.6383 2.6383 3.3239 3.3239 k = 0.0375 0.0217-0.0000 ( 7484 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5405 -23.5405 -23.5404 -23.5404 -20.5579 -20.5579 -20.5579 -20.5579 -20.5509 -20.5509 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5981 -9.5981 -9.5860 -9.5860 -0.9537 -0.9537 -0.6427 -0.6427 1.2038 1.2038 1.5032 1.5032 2.5946 2.5946 2.6009 2.6009 3.3625 3.3625 k = 0.0500 0.0289-0.0000 ( 7494 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5405 -23.5405 -23.5404 -23.5404 -20.5578 -20.5578 -20.5578 -20.5578 -20.5509 -20.5509 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5947 -9.5947 -9.5826 -9.5826 -0.9517 -0.9517 -0.6445 -0.6445 1.1846 1.1846 1.4821 1.4821 2.5418 2.5418 2.5580 2.5580 3.4091 3.4091 k = 0.0625 0.0361-0.0000 ( 7496 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5578 -20.5578 -20.5578 -20.5578 -20.5509 -20.5509 -20.5509 -20.5509 -20.5501 -20.5501 -20.5500 -20.5500 -9.5903 -9.5903 -9.5782 -9.5782 -0.9493 -0.9493 -0.6471 -0.6471 1.1602 1.1602 1.4552 1.4552 2.4838 2.4838 2.5071 2.5071 3.4602 3.4602 k = 0.0750 0.0433-0.0000 ( 7492 PWs) bands (ev): -23.5465 -23.5465 -23.5465 -23.5465 -23.5404 -23.5404 -23.5404 -23.5404 -20.5577 -20.5577 -20.5577 -20.5577 -20.5509 -20.5509 -20.5509 -20.5509 -20.5500 -20.5500 -20.5500 -20.5500 -9.5849 -9.5849 -9.5730 -9.5730 -0.9466 -0.9466 -0.6504 -0.6504 1.1306 1.1306 1.4226 1.4226 2.4235 2.4235 2.4505 2.4505 3.5137 3.5137 k = 0.0875 0.0505-0.0000 ( 7486 PWs) bands (ev): -23.5465 -23.5465 -23.5465 -23.5465 -23.5404 -23.5404 -23.5404 -23.5404 -20.5576 -20.5576 -20.5576 -20.5576 -20.5509 -20.5509 -20.5509 -20.5509 -20.5500 -20.5500 -20.5499 -20.5499 -9.5786 -9.5786 -9.5668 -9.5668 -0.9436 -0.9436 -0.6547 -0.6547 1.0962 1.0962 1.3845 1.3845 2.3631 2.3631 2.3902 2.3902 3.5683 3.5683 k = 0.1000 0.0577-0.0000 ( 7504 PWs) bands (ev): -23.5464 -23.5464 -23.5464 -23.5464 -23.5404 -23.5404 -23.5404 -23.5404 -20.5575 -20.5575 -20.5575 -20.5575 -20.5509 -20.5509 -20.5509 -20.5509 -20.5500 -20.5500 -20.5499 -20.5499 -9.5715 -9.5715 -9.5597 -9.5597 -0.9407 -0.9407 -0.6602 -0.6602 1.0571 1.0571 1.3414 1.3414 2.3040 2.3040 2.3281 2.3281 3.6232 3.6232 k = 0.1125 0.0650-0.0000 ( 7510 PWs) bands (ev): -23.5464 -23.5464 -23.5464 -23.5464 -23.5404 -23.5404 -23.5404 -23.5404 -20.5574 -20.5574 -20.5574 -20.5574 -20.5509 -20.5509 -20.5509 -20.5509 -20.5499 -20.5499 -20.5498 -20.5498 -9.5635 -9.5635 -9.5519 -9.5519 -0.9380 -0.9380 -0.6670 -0.6670 1.0139 1.0139 1.2939 1.2939 2.2470 2.2470 2.2657 2.2657 3.6780 3.6780 k = 0.1250 0.0722-0.0000 ( 7504 PWs) bands (ev): -23.5463 -23.5463 -23.5463 -23.5463 -23.5404 -23.5404 -23.5404 -23.5404 -20.5573 -20.5573 -20.5573 -20.5573 -20.5509 -20.5509 -20.5509 -20.5509 -20.5498 -20.5498 -20.5498 -20.5498 -9.5547 -9.5547 -9.5432 -9.5432 -0.9357 -0.9357 -0.6754 -0.6754 0.9671 0.9671 1.2428 1.2428 2.1924 2.1924 2.2045 2.2045 3.7327 3.7327 k = 0.1375 0.0794-0.0000 ( 7502 PWs) bands (ev): -23.5463 -23.5463 -23.5463 -23.5463 -23.5404 -23.5404 -23.5404 -23.5404 -20.5572 -20.5572 -20.5572 -20.5572 -20.5510 -20.5510 -20.5509 -20.5509 -20.5498 -20.5498 -20.5497 -20.5497 -9.5451 -9.5451 -9.5337 -9.5337 -0.9341 -0.9341 -0.6856 -0.6856 0.9173 0.9173 1.1889 1.1889 2.1390 2.1390 2.1470 2.1470 3.7872 3.7872 k = 0.1500 0.0866-0.0000 ( 7494 PWs) bands (ev): -23.5462 -23.5462 -23.5462 -23.5462 -23.5404 -23.5404 -23.5403 -23.5403 -20.5570 -20.5570 -20.5570 -20.5570 -20.5510 -20.5510 -20.5509 -20.5509 -20.5497 -20.5497 -20.5496 -20.5496 -9.5348 -9.5348 -9.5236 -9.5236 -0.9334 -0.9334 -0.6979 -0.6979 0.8654 0.8654 1.1332 1.1332 2.0836 2.0836 2.0969 2.0969 3.8417 3.8417 k = 0.1625 0.0938-0.0000 ( 7496 PWs) bands (ev): -23.5461 -23.5461 -23.5461 -23.5461 -23.5403 -23.5403 -23.5403 -23.5403 -20.5569 -20.5569 -20.5569 -20.5569 -20.5510 -20.5510 -20.5510 -20.5510 -20.5496 -20.5496 -20.5495 -20.5495 -9.5238 -9.5238 -9.5128 -9.5128 -0.9341 -0.9341 -0.7126 -0.7126 0.8122 0.8122 1.0767 1.0767 2.0289 2.0289 2.0519 2.0519 3.8963 3.8963 k = 0.1750 0.1010-0.0000 ( 7486 PWs) bands (ev): -23.5461 -23.5461 -23.5461 -23.5461 -23.5403 -23.5403 -23.5403 -23.5403 -20.5568 -20.5568 -20.5567 -20.5567 -20.5510 -20.5510 -20.5510 -20.5510 -20.5495 -20.5495 -20.5495 -20.5495 -9.5122 -9.5122 -9.5014 -9.5014 -0.9364 -0.9364 -0.7298 -0.7298 0.7585 0.7585 1.0204 1.0204 1.9768 1.9768 2.0102 2.0102 3.9511 3.9511 k = 0.1875 0.1083-0.0000 ( 7502 PWs) bands (ev): -23.5460 -23.5460 -23.5460 -23.5460 -23.5403 -23.5403 -23.5403 -23.5403 -20.5566 -20.5566 -20.5566 -20.5566 -20.5510 -20.5510 -20.5510 -20.5510 -20.5494 -20.5494 -20.5494 -20.5494 -9.5000 -9.5000 -9.4894 -9.4894 -0.9407 -0.9407 -0.7497 -0.7497 0.7055 0.7055 0.9653 0.9653 1.9275 1.9275 1.9716 1.9716 4.0064 4.0064 k = 0.2000 0.1155-0.0000 ( 7498 PWs) bands (ev): -23.5459 -23.5459 -23.5459 -23.5459 -23.5403 -23.5403 -23.5403 -23.5403 -20.5565 -20.5565 -20.5565 -20.5565 -20.5510 -20.5510 -20.5510 -20.5510 -20.5493 -20.5493 -20.5493 -20.5493 -9.4874 -9.4874 -9.4770 -9.4770 -0.9473 -0.9473 -0.7725 -0.7725 0.6539 0.6539 0.9121 0.9121 1.8813 1.8813 1.9357 1.9357 4.0623 4.0623 k = 0.2125 0.1227-0.0000 ( 7498 PWs) bands (ev): -23.5458 -23.5458 -23.5458 -23.5458 -23.5403 -23.5403 -23.5402 -23.5402 -20.5563 -20.5563 -20.5563 -20.5563 -20.5510 -20.5510 -20.5510 -20.5510 -20.5492 -20.5492 -20.5492 -20.5492 -9.4743 -9.4743 -9.4642 -9.4642 -0.9567 -0.9567 -0.7984 -0.7984 0.6047 0.6047 0.8615 0.8615 1.8380 1.8380 1.9023 1.9023 4.1189 4.1189 k = 0.2250 0.1299-0.0000 ( 7490 PWs) bands (ev): -23.5457 -23.5457 -23.5457 -23.5457 -23.5402 -23.5402 -23.5402 -23.5402 -20.5562 -20.5562 -20.5562 -20.5562 -20.5510 -20.5510 -20.5510 -20.5510 -20.5491 -20.5491 -20.5491 -20.5491 -9.4609 -9.4609 -9.4510 -9.4510 -0.9690 -0.9690 -0.8272 -0.8272 0.5587 0.5587 0.8141 0.8141 1.7977 1.7977 1.8713 1.8713 4.1762 4.1762 k = 0.2375 0.1371-0.0000 ( 7490 PWs) bands (ev): -23.5457 -23.5457 -23.5457 -23.5457 -23.5402 -23.5402 -23.5402 -23.5402 -20.5561 -20.5561 -20.5561 -20.5561 -20.5510 -20.5510 -20.5510 -20.5510 -20.5490 -20.5490 -20.5489 -20.5489 -9.4472 -9.4472 -9.4376 -9.4376 -0.9844 -0.9844 -0.8588 -0.8588 0.5166 0.5166 0.7703 0.7703 1.7603 1.7603 1.8426 1.8426 4.2343 4.2343 k = 0.2500 0.1443-0.0000 ( 7478 PWs) bands (ev): -23.5456 -23.5456 -23.5456 -23.5456 -23.5402 -23.5402 -23.5402 -23.5402 -20.5560 -20.5560 -20.5560 -20.5560 -20.5510 -20.5510 -20.5509 -20.5509 -20.5489 -20.5489 -20.5488 -20.5488 -9.4333 -9.4333 -9.4239 -9.4239 -1.0031 -1.0031 -0.8932 -0.8932 0.4789 0.4789 0.7302 0.7302 1.7258 1.7258 1.8161 1.8161 4.2933 4.2933 k = 0.2625 0.1516-0.0000 ( 7488 PWs) bands (ev): -23.5455 -23.5455 -23.5455 -23.5455 -23.5402 -23.5402 -23.5401 -23.5401 -20.5558 -20.5558 -20.5558 -20.5558 -20.5509 -20.5509 -20.5509 -20.5509 -20.5487 -20.5487 -20.5487 -20.5487 -9.4192 -9.4192 -9.4102 -9.4102 -1.0251 -1.0251 -0.9299 -0.9299 0.4459 0.4459 0.6939 0.6939 1.6941 1.6941 1.7917 1.7917 4.3531 4.3531 k = 0.2750 0.1588-0.0000 ( 7496 PWs) bands (ev): -23.5454 -23.5454 -23.5454 -23.5454 -23.5401 -23.5401 -23.5401 -23.5401 -20.5557 -20.5557 -20.5557 -20.5557 -20.5509 -20.5509 -20.5509 -20.5509 -20.5486 -20.5486 -20.5486 -20.5486 -9.4052 -9.4052 -9.3964 -9.3964 -1.0501 -1.0501 -0.9686 -0.9686 0.4178 0.4178 0.6613 0.6613 1.6651 1.6651 1.7693 1.7693 4.4137 4.4137 k = 0.2875 0.1660-0.0000 ( 7506 PWs) bands (ev): -23.5453 -23.5453 -23.5453 -23.5453 -23.5401 -23.5401 -23.5401 -23.5401 -20.5557 -20.5557 -20.5556 -20.5556 -20.5509 -20.5509 -20.5509 -20.5509 -20.5485 -20.5485 -20.5485 -20.5485 -9.3912 -9.3912 -9.3828 -9.3828 -1.0779 -1.0779 -1.0089 -1.0089 0.3946 0.3946 0.6324 0.6324 1.6388 1.6388 1.7488 1.7488 4.4749 4.4749 k = 0.3000 0.1732-0.0000 ( 7516 PWs) bands (ev): -23.5453 -23.5453 -23.5452 -23.5452 -23.5401 -23.5401 -23.5401 -23.5401 -20.5556 -20.5556 -20.5556 -20.5556 -20.5509 -20.5509 -20.5508 -20.5508 -20.5484 -20.5484 -20.5483 -20.5483 -9.3773 -9.3773 -9.3692 -9.3692 -1.1081 -1.1081 -1.0502 -1.0502 0.3760 0.3760 0.6067 0.6067 1.6153 1.6153 1.7302 1.7302 4.5367 4.5367 k = 0.3125 0.1804-0.0000 ( 7524 PWs) bands (ev): -23.5452 -23.5452 -23.5452 -23.5452 -23.5401 -23.5401 -23.5400 -23.5400 -20.5555 -20.5555 -20.5555 -20.5555 -20.5508 -20.5508 -20.5508 -20.5508 -20.5482 -20.5482 -20.5482 -20.5482 -9.3637 -9.3637 -9.3560 -9.3560 -1.1401 -1.1401 -1.0921 -1.0921 0.3618 0.3618 0.5841 0.5841 1.5944 1.5944 1.7134 1.7134 4.5987 4.5987 k = 0.3250 0.1876-0.0000 ( 7516 PWs) bands (ev): -23.5451 -23.5451 -23.5451 -23.5451 -23.5400 -23.5400 -23.5400 -23.5400 -20.5554 -20.5554 -20.5554 -20.5554 -20.5508 -20.5508 -20.5508 -20.5508 -20.5481 -20.5481 -20.5481 -20.5481 -9.3504 -9.3504 -9.3430 -9.3430 -1.1734 -1.1734 -1.1339 -1.1339 0.3515 0.3515 0.5642 0.5642 1.5760 1.5760 1.6983 1.6983 4.6607 4.6607 k = 0.3375 0.1949-0.0000 ( 7522 PWs) bands (ev): -23.5450 -23.5450 -23.5450 -23.5450 -23.5400 -23.5400 -23.5400 -23.5400 -20.5554 -20.5554 -20.5554 -20.5554 -20.5507 -20.5507 -20.5507 -20.5507 -20.5480 -20.5480 -20.5480 -20.5480 -9.3376 -9.3376 -9.3305 -9.3305 -1.2075 -1.2075 -1.1752 -1.1752 0.3446 0.3446 0.5468 0.5468 1.5603 1.5603 1.6848 1.6848 4.7224 4.7224 k = 0.3500 0.2021-0.0000 ( 7520 PWs) bands (ev): -23.5450 -23.5450 -23.5450 -23.5450 -23.5400 -23.5400 -23.5400 -23.5400 -20.5553 -20.5553 -20.5553 -20.5553 -20.5507 -20.5507 -20.5507 -20.5507 -20.5479 -20.5479 -20.5478 -20.5478 -9.3252 -9.3252 -9.3185 -9.3185 -1.2417 -1.2417 -1.2154 -1.2154 0.3407 0.3407 0.5314 0.5314 1.5470 1.5470 1.6727 1.6727 4.7834 4.7834 k = 0.3625 0.2093-0.0000 ( 7512 PWs) bands (ev): -23.5449 -23.5449 -23.5449 -23.5449 -23.5400 -23.5400 -23.5400 -23.5400 -20.5553 -20.5553 -20.5553 -20.5553 -20.5506 -20.5506 -20.5506 -20.5506 -20.5478 -20.5478 -20.5477 -20.5477 -9.3134 -9.3134 -9.3070 -9.3070 -1.2754 -1.2754 -1.2541 -1.2541 0.3392 0.3392 0.5178 0.5178 1.5361 1.5361 1.6620 1.6620 4.8431 4.8431 k = 0.3750 0.2165-0.0000 ( 7510 PWs) bands (ev): -23.5449 -23.5449 -23.5448 -23.5448 -23.5399 -23.5399 -23.5399 -23.5399 -20.5553 -20.5553 -20.5553 -20.5553 -20.5506 -20.5506 -20.5506 -20.5506 -20.5476 -20.5476 -20.5476 -20.5476 -9.3023 -9.3023 -9.2963 -9.2963 -1.3081 -1.3081 -1.2907 -1.2907 0.3397 0.3397 0.5057 0.5057 1.5274 1.5274 1.6525 1.6525 4.9009 4.9009 k = 0.3875 0.2237-0.0000 ( 7518 PWs) bands (ev): -23.5448 -23.5448 -23.5448 -23.5448 -23.5399 -23.5399 -23.5399 -23.5399 -20.5552 -20.5552 -20.5552 -20.5552 -20.5506 -20.5506 -20.5506 -20.5506 -20.5475 -20.5475 -20.5475 -20.5475 -9.2920 -9.2920 -9.2863 -9.2863 -1.3394 -1.3394 -1.3249 -1.3249 0.3417 0.3417 0.4950 0.4950 1.5208 1.5208 1.6441 1.6441 4.9564 4.9564 k = 0.4000 0.2309-0.0000 ( 7518 PWs) bands (ev): -23.5448 -23.5448 -23.5447 -23.5447 -23.5399 -23.5399 -23.5399 -23.5399 -20.5552 -20.5552 -20.5552 -20.5552 -20.5505 -20.5505 -20.5505 -20.5505 -20.5474 -20.5474 -20.5474 -20.5474 -9.2825 -9.2825 -9.2772 -9.2772 -1.3687 -1.3687 -1.3563 -1.3563 0.3448 0.3448 0.4855 0.4855 1.5161 1.5161 1.6366 1.6366 5.0087 5.0087 k = 0.4125 0.2382-0.0000 ( 7510 PWs) bands (ev): -23.5447 -23.5447 -23.5447 -23.5447 -23.5399 -23.5399 -23.5399 -23.5399 -20.5552 -20.5552 -20.5552 -20.5552 -20.5505 -20.5505 -20.5505 -20.5505 -20.5474 -20.5474 -20.5473 -20.5473 -9.2739 -9.2739 -9.2690 -9.2690 -1.3957 -1.3957 -1.3845 -1.3845 0.3486 0.3486 0.4769 0.4769 1.5130 1.5130 1.6299 1.6299 5.0572 5.0572 k = 0.4250 0.2454-0.0000 ( 7510 PWs) bands (ev): -23.5447 -23.5447 -23.5447 -23.5447 -23.5399 -23.5399 -23.5399 -23.5399 -20.5552 -20.5552 -20.5552 -20.5552 -20.5505 -20.5505 -20.5505 -20.5505 -20.5473 -20.5473 -20.5473 -20.5473 -9.2663 -9.2663 -9.2617 -9.2617 -1.4200 -1.4200 -1.4093 -1.4093 0.3529 0.3529 0.4693 0.4693 1.5114 1.5114 1.6241 1.6241 5.1012 5.1012 k = 0.4375 0.2526-0.0000 ( 7524 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5399 -23.5399 -23.5399 -23.5399 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5472 -20.5472 -20.5472 -20.5472 -9.2598 -9.2598 -9.2555 -9.2555 -1.4411 -1.4411 -1.4306 -1.4306 0.3573 0.3573 0.4627 0.4627 1.5109 1.5109 1.6190 1.6190 5.0985 5.0985 k = 0.4500 0.2598-0.0000 ( 7520 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5472 -20.5472 -20.5471 -20.5471 -9.2544 -9.2544 -9.2503 -9.2503 -1.4588 -1.4588 -1.4482 -1.4482 0.3615 0.3615 0.4569 0.4569 1.5111 1.5111 1.6147 1.6147 5.0701 5.0701 k = 0.4625 0.2670-0.0000 ( 7524 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5471 -20.5471 -9.2501 -9.2501 -9.2462 -9.2462 -1.4728 -1.4728 -1.4620 -1.4620 0.3652 0.3652 0.4522 0.4522 1.5118 1.5118 1.6111 1.6111 5.0475 5.0475 k = 0.4750 0.2742-0.0000 ( 7528 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5471 -20.5471 -9.2470 -9.2470 -9.2433 -9.2433 -1.4829 -1.4829 -1.4720 -1.4720 0.3681 0.3681 0.4486 0.4486 1.5125 1.5125 1.6085 1.6085 5.0312 5.0312 k = 0.4875 0.2815-0.0000 ( 7524 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5470 -20.5470 -9.2452 -9.2452 -9.2416 -9.2416 -1.4891 -1.4891 -1.4780 -1.4780 0.3701 0.3701 0.4463 0.4463 1.5131 1.5131 1.6068 1.6068 5.0213 5.0213 k = 0.5000 0.2887-0.0000 ( 7518 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5470 -20.5470 -9.2445 -9.2445 -9.2410 -9.2410 -1.4911 -1.4911 -1.4800 -1.4800 0.3707 0.3707 0.4455 0.4455 1.5134 1.5134 1.6063 1.6063 5.0180 5.0180 k = 0.5000 0.2887-0.0000 ( 7518 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5470 -20.5470 -9.2445 -9.2445 -9.2410 -9.2410 -1.4911 -1.4911 -1.4800 -1.4800 0.3707 0.3707 0.4455 0.4455 1.5134 1.5134 1.6063 1.6063 5.0180 5.0180 k = 0.4931 0.3007-0.0000 ( 7518 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5551 -20.5551 -20.5551 -20.5551 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5470 -20.5470 -9.2444 -9.2444 -9.2408 -9.2408 -1.4905 -1.4905 -1.4794 -1.4794 0.3707 0.3707 0.4451 0.4451 1.5086 1.5086 1.6016 1.6016 5.0191 5.0191 k = 0.4861 0.3127-0.0000 ( 7524 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5551 -20.5551 -20.5551 -20.5551 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5470 -20.5470 -9.2438 -9.2438 -9.2403 -9.2403 -1.4888 -1.4888 -1.4777 -1.4777 0.3705 0.3705 0.4438 0.4438 1.4947 1.4947 1.5879 1.5879 5.0222 5.0222 k = 0.4792 0.3248-0.0000 ( 7520 PWs) bands (ev): -23.5446 -23.5446 -23.5445 -23.5445 -23.5398 -23.5398 -23.5398 -23.5398 -20.5551 -20.5551 -20.5551 -20.5551 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5471 -20.5471 -9.2430 -9.2430 -9.2394 -9.2394 -1.4858 -1.4858 -1.4749 -1.4749 0.3702 0.3702 0.4415 0.4415 1.4720 1.4720 1.5657 1.5657 5.0276 5.0276 k = 0.4722 0.3368-0.0000 ( 7510 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5398 -23.5398 -23.5398 -23.5398 -20.5550 -20.5550 -20.5550 -20.5550 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5471 -20.5471 -9.2418 -9.2418 -9.2383 -9.2383 -1.4818 -1.4818 -1.4710 -1.4710 0.3695 0.3695 0.4382 0.4382 1.4416 1.4416 1.5360 1.5360 5.0354 5.0354 k = 0.4653 0.3488-0.0000 ( 7500 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5398 -23.5398 -23.5398 -23.5398 -20.5550 -20.5550 -20.5549 -20.5549 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5471 -20.5471 -9.2402 -9.2402 -9.2368 -9.2368 -1.4767 -1.4767 -1.4661 -1.4661 0.3684 0.3684 0.4337 0.4337 1.4047 1.4047 1.5000 1.5000 5.0457 5.0457 k = 0.4583 0.3608-0.0000 ( 7504 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5398 -23.5398 -23.5398 -23.5398 -20.5549 -20.5549 -20.5549 -20.5549 -20.5505 -20.5505 -20.5504 -20.5504 -20.5471 -20.5471 -20.5471 -20.5471 -9.2384 -9.2384 -9.2350 -9.2350 -1.4705 -1.4705 -1.4602 -1.4602 0.3667 0.3667 0.4278 0.4278 1.3626 1.3626 1.4590 1.4590 5.0584 5.0584 k = 0.4514 0.3729-0.0000 ( 7512 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5398 -23.5398 -23.5398 -23.5398 -20.5548 -20.5548 -20.5548 -20.5548 -20.5505 -20.5505 -20.5505 -20.5505 -20.5472 -20.5472 -20.5472 -20.5472 -9.2363 -9.2363 -9.2330 -9.2330 -1.4635 -1.4635 -1.4535 -1.4535 0.3640 0.3640 0.4203 0.4203 1.3169 1.3169 1.4145 1.4145 5.0735 5.0735 k = 0.4444 0.3849-0.0000 ( 7504 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5398 -23.5398 -23.5398 -23.5398 -20.5547 -20.5547 -20.5547 -20.5547 -20.5505 -20.5505 -20.5505 -20.5505 -20.5472 -20.5472 -20.5472 -20.5472 -9.2339 -9.2339 -9.2308 -9.2308 -1.4556 -1.4556 -1.4459 -1.4459 0.3601 0.3601 0.4110 0.4110 1.2690 1.2690 1.3680 1.3680 5.0910 5.0910 k = 0.4375 0.3969-0.0000 ( 7508 PWs) bands (ev): -23.5444 -23.5444 -23.5444 -23.5444 -23.5398 -23.5398 -23.5398 -23.5398 -20.5545 -20.5545 -20.5545 -20.5545 -20.5506 -20.5506 -20.5506 -20.5506 -20.5473 -20.5473 -20.5472 -20.5472 -9.2314 -9.2314 -9.2283 -9.2283 -1.4470 -1.4470 -1.4377 -1.4377 0.3548 0.3548 0.3996 0.3996 1.2206 1.2206 1.3209 1.3209 5.1108 5.1108 k = 0.4306 0.4090-0.0000 ( 7502 PWs) bands (ev): -23.5444 -23.5444 -23.5444 -23.5444 -23.5399 -23.5399 -23.5398 -23.5398 -20.5544 -20.5544 -20.5544 -20.5544 -20.5506 -20.5506 -20.5506 -20.5506 -20.5473 -20.5473 -20.5473 -20.5473 -9.2286 -9.2286 -9.2257 -9.2257 -1.4379 -1.4379 -1.4290 -1.4290 0.3475 0.3475 0.3861 0.3861 1.1731 1.1731 1.2745 1.2745 5.1329 5.1329 k = 0.4236 0.4210-0.0000 ( 7500 PWs) bands (ev): -23.5444 -23.5444 -23.5444 -23.5444 -23.5399 -23.5399 -23.5399 -23.5399 -20.5542 -20.5542 -20.5542 -20.5542 -20.5507 -20.5507 -20.5507 -20.5507 -20.5473 -20.5473 -20.5473 -20.5473 -9.2257 -9.2257 -9.2229 -9.2229 -1.4283 -1.4283 -1.4199 -1.4199 0.3380 0.3380 0.3702 0.3702 1.1279 1.1279 1.2301 1.2301 5.1572 5.1572 k = 0.4167 0.4330-0.0000 ( 7504 PWs) bands (ev): -23.5444 -23.5444 -23.5444 -23.5444 -23.5399 -23.5399 -23.5399 -23.5399 -20.5541 -20.5541 -20.5541 -20.5541 -20.5507 -20.5507 -20.5507 -20.5507 -20.5474 -20.5474 -20.5474 -20.5474 -9.2227 -9.2227 -9.2200 -9.2200 -1.4184 -1.4184 -1.4106 -1.4106 0.3261 0.3261 0.3521 0.3521 1.0863 1.0863 1.1885 1.1885 5.1834 5.1834 k = 0.4097 0.4450-0.0000 ( 7498 PWs) bands (ev): -23.5444 -23.5444 -23.5443 -23.5443 -23.5399 -23.5399 -23.5399 -23.5399 -20.5539 -20.5539 -20.5539 -20.5539 -20.5508 -20.5508 -20.5508 -20.5508 -20.5474 -20.5474 -20.5474 -20.5474 -9.2196 -9.2196 -9.2171 -9.2171 -1.4085 -1.4085 -1.4013 -1.4013 0.3116 0.3116 0.3318 0.3318 1.0493 1.0493 1.1504 1.1504 5.2116 5.2116 k = 0.4028 0.4571-0.0000 ( 7488 PWs) bands (ev): -23.5443 -23.5443 -23.5443 -23.5443 -23.5399 -23.5399 -23.5399 -23.5399 -20.5538 -20.5538 -20.5538 -20.5538 -20.5509 -20.5509 -20.5509 -20.5509 -20.5475 -20.5475 -20.5474 -20.5474 -9.2165 -9.2165 -9.2142 -9.2142 -1.3987 -1.3987 -1.3921 -1.3921 0.2948 0.2948 0.3097 0.3097 1.0175 1.0175 1.1163 1.1163 5.2415 5.2415 k = 0.3958 0.4691-0.0000 ( 7492 PWs) bands (ev): -23.5443 -23.5443 -23.5443 -23.5443 -23.5399 -23.5399 -23.5399 -23.5399 -20.5536 -20.5536 -20.5536 -20.5536 -20.5510 -20.5510 -20.5510 -20.5510 -20.5475 -20.5475 -20.5475 -20.5475 -9.2135 -9.2135 -9.2113 -9.2113 -1.3893 -1.3893 -1.3833 -1.3833 0.2758 0.2758 0.2864 0.2864 0.9912 0.9912 1.0863 1.0863 5.2728 5.2728 k = 0.3889 0.4811-0.0000 ( 7500 PWs) bands (ev): -23.5443 -23.5443 -23.5443 -23.5443 -23.5399 -23.5399 -23.5399 -23.5399 -20.5534 -20.5534 -20.5534 -20.5534 -20.5511 -20.5511 -20.5511 -20.5511 -20.5475 -20.5475 -20.5475 -20.5475 -9.2105 -9.2105 -9.2085 -9.2085 -1.3803 -1.3803 -1.3751 -1.3751 0.2554 0.2554 0.2627 0.2627 0.9705 0.9705 1.0603 1.0603 5.3053 5.3053 k = 0.3819 0.4932-0.0000 ( 7484 PWs) bands (ev): -23.5443 -23.5443 -23.5443 -23.5443 -23.5399 -23.5399 -23.5399 -23.5399 -20.5533 -20.5533 -20.5533 -20.5533 -20.5511 -20.5511 -20.5511 -20.5511 -20.5476 -20.5476 -20.5475 -20.5475 -9.2076 -9.2076 -9.2058 -9.2058 -1.3721 -1.3721 -1.3676 -1.3676 0.2344 0.2344 0.2392 0.2392 0.9552 0.9552 1.0381 1.0381 5.3384 5.3384 k = 0.3750 0.5052-0.0000 ( 7462 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5531 -20.5531 -20.5531 -20.5531 -20.5512 -20.5512 -20.5512 -20.5512 -20.5476 -20.5476 -20.5476 -20.5476 -9.2050 -9.2050 -9.2034 -9.2034 -1.3648 -1.3648 -1.3610 -1.3610 0.2137 0.2137 0.2169 0.2169 0.9447 0.9447 1.0193 1.0193 5.3715 5.3715 k = 0.3681 0.5172-0.0000 ( 7463 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5530 -20.5530 -20.5530 -20.5530 -20.5513 -20.5513 -20.5513 -20.5513 -20.5476 -20.5476 -20.5476 -20.5476 -9.2026 -9.2026 -9.2012 -9.2012 -1.3585 -1.3585 -1.3554 -1.3554 0.1942 0.1942 0.1967 0.1967 0.9385 0.9385 1.0033 1.0033 5.4037 5.4037 k = 0.3611 0.5292-0.0000 ( 7465 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5528 -20.5528 -20.5528 -20.5528 -20.5514 -20.5514 -20.5514 -20.5514 -20.5476 -20.5476 -20.5476 -20.5476 -9.2004 -9.2004 -9.1993 -9.1993 -1.3534 -1.3534 -1.3510 -1.3510 0.1768 0.1768 0.1792 0.1792 0.9359 0.9359 0.9898 0.9898 5.4339 5.4339 k = 0.3542 0.5413-0.0000 ( 7469 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5527 -20.5527 -20.5527 -20.5527 -20.5515 -20.5515 -20.5515 -20.5515 -20.5476 -20.5476 -20.5476 -20.5476 -9.1987 -9.1987 -9.1978 -9.1978 -1.3495 -1.3495 -1.3478 -1.3478 0.1626 0.1626 0.1649 0.1649 0.9364 0.9364 0.9782 0.9782 5.4604 5.4604 k = 0.3472 0.5533-0.0000 ( 7469 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5526 -20.5526 -20.5526 -20.5526 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5476 -20.5476 -9.1973 -9.1973 -9.1967 -9.1967 -1.3468 -1.3468 -1.3457 -1.3457 0.1520 0.1520 0.1543 0.1543 0.9395 0.9395 0.9682 0.9682 5.4813 5.4813 k = 0.3403 0.5653-0.0000 ( 7457 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1964 -9.1964 -9.1961 -9.1961 -1.3453 -1.3453 -1.3446 -1.3446 0.1456 0.1456 0.1478 0.1478 0.9446 0.9446 0.9594 0.9594 5.4947 5.4947 k = 0.3333 0.5774-0.0000 ( 7455 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3447 -1.3447 -1.3444 -1.3444 0.1434 0.1434 0.1456 0.1456 0.9507 0.9507 0.9521 0.9521 5.4992 5.4992 k = 0.3333 0.5774-0.0000 ( 7455 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3447 -1.3447 -1.3444 -1.3444 0.1434 0.1434 0.1456 0.1456 0.9507 0.9507 0.9521 0.9521 5.4992 5.4992 k = 0.3262 0.5651-0.0000 ( 7461 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1964 -9.1964 -9.1961 -9.1961 -1.3451 -1.3451 -1.3446 -1.3446 0.1456 0.1456 0.1479 0.1479 0.9440 0.9440 0.9598 0.9598 5.4948 5.4948 k = 0.3191 0.5528-0.0000 ( 7465 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5526 -20.5526 -20.5526 -20.5526 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5476 -20.5476 -9.1975 -9.1975 -9.1969 -9.1969 -1.3460 -1.3460 -1.3452 -1.3452 0.1523 0.1523 0.1546 0.1546 0.9372 0.9372 0.9694 0.9694 5.4831 5.4831 k = 0.3121 0.5405-0.0000 ( 7457 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5527 -20.5527 -20.5527 -20.5527 -20.5515 -20.5515 -20.5515 -20.5515 -20.5476 -20.5476 -20.5476 -20.5476 -9.1992 -9.1992 -9.1983 -9.1983 -1.3468 -1.3468 -1.3460 -1.3460 0.1632 0.1632 0.1656 0.1656 0.9310 0.9310 0.9799 0.9799 5.4668 5.4668 k = 0.3050 0.5282-0.0000 ( 7461 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5528 -20.5528 -20.5528 -20.5528 -20.5515 -20.5515 -20.5515 -20.5515 -20.5476 -20.5476 -20.5476 -20.5476 -9.2017 -9.2017 -9.2004 -9.2004 -1.3473 -1.3473 -1.3465 -1.3465 0.1780 0.1780 0.1804 0.1804 0.9253 0.9253 0.9912 0.9912 5.4486 5.4486 k = 0.2979 0.5159-0.0000 ( 7461 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5529 -20.5529 -20.5529 -20.5529 -20.5514 -20.5514 -20.5514 -20.5514 -20.5476 -20.5476 -20.5476 -20.5476 -9.2049 -9.2049 -9.2032 -9.2032 -1.3471 -1.3471 -1.3465 -1.3465 0.1961 0.1961 0.1986 0.1986 0.9203 0.9203 1.0034 1.0034 5.4307 5.4307 k = 0.2908 0.5036-0.0000 ( 7453 PWs) bands (ev): -23.5443 -23.5443 -23.5443 -23.5443 -23.5399 -23.5399 -23.5399 -23.5399 -20.5530 -20.5530 -20.5530 -20.5530 -20.5513 -20.5513 -20.5513 -20.5513 -20.5476 -20.5476 -20.5476 -20.5476 -9.2088 -9.2088 -9.2068 -9.2068 -1.3458 -1.3458 -1.3454 -1.3454 0.2170 0.2170 0.2199 0.2199 0.9163 0.9163 1.0163 1.0163 5.4147 5.4147 k = 0.2837 0.4914-0.0000 ( 7479 PWs) bands (ev): -23.5443 -23.5443 -23.5443 -23.5443 -23.5399 -23.5399 -23.5399 -23.5399 -20.5532 -20.5532 -20.5532 -20.5532 -20.5513 -20.5513 -20.5513 -20.5513 -20.5476 -20.5476 -20.5476 -20.5476 -9.2135 -9.2135 -9.2111 -9.2111 -1.3433 -1.3433 -1.3427 -1.3427 0.2397 0.2397 0.2439 0.2439 0.9137 0.9137 1.0300 1.0300 5.4018 5.4018 k = 0.2766 0.4791-0.0000 ( 7479 PWs) bands (ev): -23.5443 -23.5443 -23.5443 -23.5443 -23.5399 -23.5399 -23.5399 -23.5399 -20.5533 -20.5533 -20.5533 -20.5533 -20.5512 -20.5512 -20.5512 -20.5512 -20.5476 -20.5476 -20.5476 -20.5476 -9.2190 -9.2190 -9.2163 -9.2163 -1.3394 -1.3394 -1.3381 -1.3381 0.2634 0.2634 0.2701 0.2701 0.9129 0.9129 1.0447 1.0447 5.3926 5.3926 k = 0.2695 0.4668-0.0000 ( 7487 PWs) bands (ev): -23.5444 -23.5444 -23.5444 -23.5444 -23.5399 -23.5399 -23.5399 -23.5399 -20.5534 -20.5534 -20.5534 -20.5534 -20.5512 -20.5512 -20.5512 -20.5512 -20.5476 -20.5476 -20.5476 -20.5476 -9.2253 -9.2253 -9.2222 -9.2222 -1.3338 -1.3338 -1.3315 -1.3315 0.2872 0.2872 0.2980 0.2980 0.9146 0.9146 1.0605 1.0605 5.3875 5.3875 k = 0.2624 0.4545-0.0000 ( 7491 PWs) bands (ev): -23.5444 -23.5444 -23.5444 -23.5444 -23.5399 -23.5399 -23.5399 -23.5399 -20.5536 -20.5536 -20.5536 -20.5536 -20.5512 -20.5512 -20.5512 -20.5512 -20.5476 -20.5476 -20.5476 -20.5476 -9.2324 -9.2324 -9.2289 -9.2289 -1.3261 -1.3261 -1.3225 -1.3225 0.3103 0.3103 0.3270 0.3270 0.9196 0.9196 1.0776 1.0776 5.3867 5.3867 k = 0.2553 0.4422-0.0000 ( 7487 PWs) bands (ev): -23.5444 -23.5444 -23.5444 -23.5444 -23.5399 -23.5399 -23.5399 -23.5399 -20.5537 -20.5537 -20.5537 -20.5537 -20.5511 -20.5511 -20.5511 -20.5511 -20.5477 -20.5477 -20.5476 -20.5476 -9.2402 -9.2402 -9.2363 -9.2363 -1.3164 -1.3164 -1.3111 -1.3111 0.3319 0.3319 0.3565 0.3565 0.9284 0.9284 1.0962 1.0962 5.3902 5.3902 k = 0.2482 0.4299-0.0000 ( 7501 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5399 -23.5399 -23.5399 -23.5399 -20.5538 -20.5538 -20.5538 -20.5538 -20.5511 -20.5511 -20.5511 -20.5511 -20.5477 -20.5477 -20.5477 -20.5477 -9.2488 -9.2488 -9.2445 -9.2445 -1.3044 -1.3044 -1.2972 -1.2972 0.3511 0.3511 0.3861 0.3861 0.9419 0.9419 1.1168 1.1168 5.3978 5.3978 k = 0.2411 0.4177-0.0000 ( 7509 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5399 -23.5399 -23.5399 -23.5399 -20.5540 -20.5540 -20.5540 -20.5540 -20.5511 -20.5511 -20.5511 -20.5511 -20.5477 -20.5477 -20.5477 -20.5477 -9.2581 -9.2581 -9.2535 -9.2535 -1.2902 -1.2902 -1.2807 -1.2807 0.3674 0.3674 0.4154 0.4154 0.9605 0.9605 1.1394 1.1394 5.4064 5.4064 k = 0.2340 0.4054-0.0000 ( 7505 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5399 -23.5399 -23.5399 -23.5399 -20.5541 -20.5541 -20.5541 -20.5541 -20.5511 -20.5511 -20.5511 -20.5511 -20.5478 -20.5478 -20.5477 -20.5477 -9.2681 -9.2681 -9.2631 -9.2631 -1.2738 -1.2738 -1.2616 -1.2616 0.3806 0.3806 0.4438 0.4438 0.9846 0.9846 1.1644 1.1644 5.3401 5.3401 k = 0.2270 0.3931-0.0000 ( 7507 PWs) bands (ev): -23.5447 -23.5447 -23.5447 -23.5447 -23.5400 -23.5400 -23.5399 -23.5399 -20.5542 -20.5542 -20.5542 -20.5542 -20.5511 -20.5511 -20.5511 -20.5511 -20.5478 -20.5478 -20.5478 -20.5478 -9.2788 -9.2788 -9.2734 -9.2734 -1.2553 -1.2553 -1.2400 -1.2400 0.3909 0.3909 0.4713 0.4713 1.0139 1.0139 1.1919 1.1919 5.2485 5.2485 k = 0.2199 0.3808-0.0000 ( 7507 PWs) bands (ev): -23.5447 -23.5447 -23.5447 -23.5447 -23.5400 -23.5400 -23.5400 -23.5400 -20.5544 -20.5544 -20.5544 -20.5544 -20.5511 -20.5511 -20.5511 -20.5511 -20.5479 -20.5479 -20.5478 -20.5478 -9.2901 -9.2901 -9.2843 -9.2843 -1.2350 -1.2350 -1.2159 -1.2159 0.3985 0.3985 0.4975 0.4975 1.0484 1.0484 1.2221 1.2221 5.1585 5.1585 k = 0.2128 0.3685-0.0000 ( 7503 PWs) bands (ev): -23.5448 -23.5448 -23.5448 -23.5448 -23.5400 -23.5400 -23.5400 -23.5400 -20.5545 -20.5545 -20.5545 -20.5545 -20.5511 -20.5511 -20.5511 -20.5511 -20.5479 -20.5479 -20.5479 -20.5479 -9.3019 -9.3019 -9.2958 -9.2958 -1.2130 -1.2130 -1.1895 -1.1895 0.4042 0.4042 0.5226 0.5226 1.0874 1.0874 1.2551 1.2551 5.0706 5.0706 k = 0.2057 0.3562-0.0000 ( 7503 PWs) bands (ev): -23.5449 -23.5449 -23.5449 -23.5449 -23.5400 -23.5400 -23.5400 -23.5400 -20.5546 -20.5546 -20.5546 -20.5546 -20.5511 -20.5511 -20.5511 -20.5511 -20.5480 -20.5480 -20.5480 -20.5480 -9.3143 -9.3143 -9.3078 -9.3078 -1.1897 -1.1897 -1.1610 -1.1610 0.4089 0.4089 0.5466 0.5466 1.1304 1.1304 1.2906 1.2906 4.9848 4.9848 k = 0.1986 0.3440-0.0000 ( 7499 PWs) bands (ev): -23.5449 -23.5449 -23.5449 -23.5449 -23.5400 -23.5400 -23.5400 -23.5400 -20.5548 -20.5548 -20.5548 -20.5548 -20.5511 -20.5511 -20.5511 -20.5511 -20.5481 -20.5481 -20.5481 -20.5481 -9.3271 -9.3271 -9.3202 -9.3202 -1.1653 -1.1653 -1.1308 -1.1308 0.4133 0.4133 0.5699 0.5699 1.1767 1.1767 1.3286 1.3286 4.9014 4.9014 k = 0.1915 0.3317-0.0000 ( 7507 PWs) bands (ev): -23.5450 -23.5450 -23.5450 -23.5450 -23.5400 -23.5400 -23.5400 -23.5400 -20.5549 -20.5549 -20.5549 -20.5549 -20.5511 -20.5511 -20.5511 -20.5511 -20.5482 -20.5482 -20.5481 -20.5481 -9.3403 -9.3403 -9.3330 -9.3330 -1.1404 -1.1404 -1.0990 -1.0990 0.4185 0.4185 0.5927 0.5927 1.2257 1.2257 1.3689 1.3689 4.8201 4.8201 k = 0.1844 0.3194-0.0000 ( 7503 PWs) bands (ev): -23.5451 -23.5451 -23.5451 -23.5451 -23.5401 -23.5401 -23.5400 -23.5400 -20.5550 -20.5550 -20.5550 -20.5550 -20.5511 -20.5511 -20.5511 -20.5511 -20.5483 -20.5483 -20.5482 -20.5482 -9.3538 -9.3538 -9.3462 -9.3462 -1.1153 -1.1153 -1.0660 -1.0660 0.4252 0.4252 0.6155 0.6155 1.2769 1.2769 1.4112 1.4112 4.7411 4.7411 k = 0.1773 0.3071-0.0000 ( 7511 PWs) bands (ev): -23.5452 -23.5452 -23.5452 -23.5452 -23.5401 -23.5401 -23.5401 -23.5401 -20.5552 -20.5552 -20.5552 -20.5552 -20.5511 -20.5511 -20.5511 -20.5511 -20.5484 -20.5484 -20.5483 -20.5483 -9.3675 -9.3675 -9.3596 -9.3596 -1.0904 -1.0904 -1.0323 -1.0323 0.4341 0.4341 0.6389 0.6389 1.3298 1.3298 1.4551 1.4551 4.6644 4.6644 k = 0.1702 0.2948-0.0000 ( 7507 PWs) bands (ev): -23.5453 -23.5453 -23.5453 -23.5453 -23.5401 -23.5401 -23.5401 -23.5401 -20.5553 -20.5553 -20.5553 -20.5553 -20.5511 -20.5511 -20.5511 -20.5511 -20.5485 -20.5485 -20.5484 -20.5484 -9.3815 -9.3815 -9.3732 -9.3732 -1.0664 -1.0664 -0.9983 -0.9983 0.4461 0.4461 0.6634 0.6634 1.3840 1.3840 1.5004 1.5004 4.5898 4.5898 k = 0.1631 0.2825-0.0000 ( 7507 PWs) bands (ev): -23.5453 -23.5453 -23.5453 -23.5453 -23.5401 -23.5401 -23.5401 -23.5401 -20.5554 -20.5554 -20.5554 -20.5554 -20.5511 -20.5511 -20.5511 -20.5511 -20.5486 -20.5486 -20.5485 -20.5485 -9.3955 -9.3955 -9.3870 -9.3870 -1.0435 -1.0435 -0.9643 -0.9643 0.4616 0.4616 0.6895 0.6895 1.4393 1.4393 1.5468 1.5468 4.5174 4.5174 k = 0.1560 0.2702-0.0000 ( 7495 PWs) bands (ev): -23.5454 -23.5454 -23.5454 -23.5454 -23.5401 -23.5401 -23.5401 -23.5401 -20.5556 -20.5556 -20.5556 -20.5556 -20.5511 -20.5511 -20.5511 -20.5511 -20.5487 -20.5487 -20.5487 -20.5487 -9.4096 -9.4096 -9.4007 -9.4007 -1.0223 -1.0223 -0.9308 -0.9308 0.4811 0.4811 0.7177 0.7177 1.4952 1.4952 1.5939 1.5939 4.4470 4.4470 k = 0.1489 0.2580-0.0000 ( 7487 PWs) bands (ev): -23.5455 -23.5455 -23.5455 -23.5455 -23.5402 -23.5402 -23.5402 -23.5402 -20.5557 -20.5557 -20.5557 -20.5557 -20.5511 -20.5511 -20.5511 -20.5511 -20.5488 -20.5488 -20.5488 -20.5488 -9.4236 -9.4236 -9.4145 -9.4145 -1.0031 -1.0031 -0.8983 -0.8983 0.5050 0.5050 0.7485 0.7485 1.5518 1.5518 1.6416 1.6416 4.3787 4.3787 k = 0.1418 0.2457-0.0000 ( 7477 PWs) bands (ev): -23.5456 -23.5456 -23.5456 -23.5456 -23.5402 -23.5402 -23.5402 -23.5402 -20.5559 -20.5559 -20.5559 -20.5559 -20.5511 -20.5511 -20.5510 -20.5510 -20.5489 -20.5489 -20.5489 -20.5489 -9.4376 -9.4376 -9.4281 -9.4281 -0.9861 -0.9861 -0.8671 -0.8671 0.5333 0.5333 0.7821 0.7821 1.6087 1.6087 1.6898 1.6898 4.3123 4.3123 k = 0.1348 0.2334-0.0000 ( 7469 PWs) bands (ev): -23.5457 -23.5457 -23.5457 -23.5457 -23.5402 -23.5402 -23.5402 -23.5402 -20.5560 -20.5560 -20.5560 -20.5560 -20.5511 -20.5511 -20.5510 -20.5510 -20.5490 -20.5490 -20.5490 -20.5490 -9.4513 -9.4513 -9.4416 -9.4416 -0.9716 -0.9716 -0.8376 -0.8376 0.5661 0.5661 0.8188 0.8188 1.6661 1.6661 1.7381 1.7381 4.2478 4.2478 k = 0.1277 0.2211-0.0000 ( 7469 PWs) bands (ev): -23.5458 -23.5458 -23.5458 -23.5458 -23.5402 -23.5402 -23.5402 -23.5402 -20.5562 -20.5562 -20.5562 -20.5562 -20.5510 -20.5510 -20.5510 -20.5510 -20.5491 -20.5491 -20.5491 -20.5491 -9.4648 -9.4648 -9.4548 -9.4548 -0.9596 -0.9596 -0.8102 -0.8102 0.6030 0.6030 0.8588 0.8588 1.7238 1.7238 1.7867 1.7867 4.1850 4.1850 k = 0.1206 0.2088-0.0000 ( 7485 PWs) bands (ev): -23.5458 -23.5458 -23.5458 -23.5458 -23.5403 -23.5403 -23.5402 -23.5402 -20.5563 -20.5563 -20.5563 -20.5563 -20.5510 -20.5510 -20.5510 -20.5510 -20.5492 -20.5492 -20.5492 -20.5492 -9.4780 -9.4780 -9.4678 -9.4678 -0.9500 -0.9500 -0.7849 -0.7849 0.6438 0.6438 0.9019 0.9019 1.7819 1.7819 1.8355 1.8355 4.1238 4.1238 k = 0.1135 0.1965-0.0000 ( 7497 PWs) bands (ev): -23.5459 -23.5459 -23.5459 -23.5459 -23.5403 -23.5403 -23.5403 -23.5403 -20.5565 -20.5565 -20.5565 -20.5565 -20.5510 -20.5510 -20.5510 -20.5510 -20.5493 -20.5493 -20.5493 -20.5493 -9.4908 -9.4908 -9.4804 -9.4804 -0.9428 -0.9428 -0.7621 -0.7621 0.6879 0.6879 0.9480 0.9480 1.8405 1.8405 1.8845 1.8845 4.0640 4.0640 k = 0.1064 0.1843-0.0000 ( 7489 PWs) bands (ev): -23.5460 -23.5460 -23.5460 -23.5460 -23.5403 -23.5403 -23.5403 -23.5403 -20.5566 -20.5566 -20.5566 -20.5566 -20.5510 -20.5510 -20.5510 -20.5510 -20.5494 -20.5494 -20.5494 -20.5494 -9.5031 -9.5031 -9.4925 -9.4925 -0.9378 -0.9378 -0.7416 -0.7416 0.7346 0.7346 0.9967 0.9967 1.8998 1.8998 1.9339 1.9339 4.0056 4.0056 k = 0.0993 0.1720-0.0000 ( 7481 PWs) bands (ev): -23.5461 -23.5461 -23.5461 -23.5461 -23.5403 -23.5403 -23.5403 -23.5403 -20.5568 -20.5568 -20.5568 -20.5568 -20.5510 -20.5510 -20.5510 -20.5510 -20.5495 -20.5495 -20.5495 -20.5495 -9.5150 -9.5150 -9.5041 -9.5041 -0.9347 -0.9347 -0.7236 -0.7236 0.7831 0.7831 1.0474 1.0474 1.9597 1.9597 1.9839 1.9839 3.9482 3.9482 k = 0.0922 0.1597-0.0000 ( 7485 PWs) bands (ev): -23.5461 -23.5461 -23.5461 -23.5461 -23.5403 -23.5403 -23.5403 -23.5403 -20.5569 -20.5569 -20.5569 -20.5569 -20.5510 -20.5510 -20.5510 -20.5510 -20.5496 -20.5496 -20.5496 -20.5496 -9.5263 -9.5263 -9.5152 -9.5152 -0.9332 -0.9332 -0.7080 -0.7080 0.8326 0.8326 1.0995 1.0995 2.0204 2.0204 2.0348 2.0348 3.8918 3.8918 k = 0.0851 0.1474-0.0000 ( 7499 PWs) bands (ev): -23.5462 -23.5462 -23.5462 -23.5462 -23.5404 -23.5404 -23.5403 -23.5403 -20.5570 -20.5570 -20.5570 -20.5570 -20.5510 -20.5510 -20.5510 -20.5510 -20.5497 -20.5497 -20.5496 -20.5496 -9.5369 -9.5369 -9.5257 -9.5257 -0.9331 -0.9331 -0.6945 -0.6945 0.8821 0.8821 1.1520 1.1520 2.0818 2.0818 2.0869 2.0869 3.8360 3.8360 k = 0.0780 0.1351-0.0000 ( 7497 PWs) bands (ev): -23.5463 -23.5463 -23.5463 -23.5463 -23.5404 -23.5404 -23.5403 -23.5403 -20.5572 -20.5572 -20.5572 -20.5572 -20.5510 -20.5510 -20.5509 -20.5509 -20.5498 -20.5498 -20.5497 -20.5497 -9.5470 -9.5470 -9.5356 -9.5356 -0.9341 -0.9341 -0.6831 -0.6831 0.9308 0.9308 1.2042 1.2042 2.1395 2.1395 2.1450 2.1450 3.7808 3.7808 k = 0.0709 0.1228-0.0000 ( 7509 PWs) bands (ev): -23.5463 -23.5463 -23.5463 -23.5463 -23.5404 -23.5404 -23.5404 -23.5404 -20.5573 -20.5573 -20.5573 -20.5573 -20.5509 -20.5509 -20.5509 -20.5509 -20.5498 -20.5498 -20.5498 -20.5498 -9.5562 -9.5562 -9.5447 -9.5447 -0.9360 -0.9360 -0.6736 -0.6736 0.9778 0.9778 1.2550 1.2550 2.1946 2.1946 2.2080 2.2080 3.7259 3.7259 k = 0.0638 0.1106-0.0000 ( 7503 PWs) bands (ev): -23.5464 -23.5464 -23.5464 -23.5464 -23.5404 -23.5404 -23.5404 -23.5404 -20.5574 -20.5574 -20.5574 -20.5574 -20.5509 -20.5509 -20.5509 -20.5509 -20.5499 -20.5499 -20.5498 -20.5498 -9.5648 -9.5648 -9.5531 -9.5531 -0.9384 -0.9384 -0.6657 -0.6657 1.0222 1.0222 1.3034 1.3034 2.2513 2.2513 2.2714 2.2714 3.6712 3.6712 k = 0.0567 0.0983-0.0000 ( 7495 PWs) bands (ev): -23.5465 -23.5465 -23.5464 -23.5464 -23.5404 -23.5404 -23.5404 -23.5404 -20.5575 -20.5575 -20.5575 -20.5575 -20.5509 -20.5509 -20.5509 -20.5509 -20.5500 -20.5500 -20.5499 -20.5499 -9.5725 -9.5725 -9.5608 -9.5608 -0.9411 -0.9411 -0.6593 -0.6593 1.0635 1.0635 1.3487 1.3487 2.3095 2.3095 2.3346 2.3346 3.6166 3.6166 k = 0.0496 0.0860-0.0000 ( 7495 PWs) bands (ev): -23.5465 -23.5465 -23.5465 -23.5465 -23.5404 -23.5404 -23.5404 -23.5404 -20.5576 -20.5576 -20.5576 -20.5576 -20.5509 -20.5509 -20.5509 -20.5509 -20.5500 -20.5500 -20.5499 -20.5499 -9.5795 -9.5795 -9.5676 -9.5676 -0.9440 -0.9440 -0.6541 -0.6541 1.1009 1.1009 1.3899 1.3899 2.3691 2.3691 2.3966 2.3966 3.5622 3.5622 k = 0.0426 0.0737-0.0000 ( 7493 PWs) bands (ev): -23.5465 -23.5465 -23.5465 -23.5465 -23.5404 -23.5404 -23.5404 -23.5404 -20.5577 -20.5577 -20.5577 -20.5577 -20.5509 -20.5509 -20.5509 -20.5509 -20.5500 -20.5500 -20.5500 -20.5500 -9.5855 -9.5855 -9.5735 -9.5735 -0.9468 -0.9468 -0.6500 -0.6500 1.1341 1.1341 1.4264 1.4264 2.4292 2.4292 2.4561 2.4561 3.5084 3.5084 k = 0.0355 0.0614-0.0000 ( 7493 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5578 -20.5578 -20.5578 -20.5578 -20.5509 -20.5509 -20.5509 -20.5509 -20.5501 -20.5501 -20.5500 -20.5500 -9.5907 -9.5907 -9.5786 -9.5786 -0.9495 -0.9495 -0.6468 -0.6468 1.1626 1.1626 1.4578 1.4578 2.4887 2.4887 2.5116 2.5116 3.4558 3.4558 k = 0.0284 0.0491-0.0000 ( 7497 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5405 -23.5405 -23.5404 -23.5404 -20.5578 -20.5578 -20.5578 -20.5578 -20.5509 -20.5509 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5949 -9.5949 -9.5828 -9.5828 -0.9519 -0.9519 -0.6444 -0.6444 1.1861 1.1861 1.4838 1.4838 2.5456 2.5456 2.5612 2.5612 3.4057 3.4057 k = 0.0213 0.0369-0.0000 ( 7497 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5405 -23.5405 -23.5404 -23.5404 -20.5579 -20.5579 -20.5579 -20.5579 -20.5509 -20.5509 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5983 -9.5983 -9.5861 -9.5861 -0.9538 -0.9538 -0.6426 -0.6426 1.2046 1.2046 1.5041 1.5041 2.5971 2.5971 2.6028 2.6028 3.3603 3.3603 k = 0.0142 0.0246-0.0000 ( 7491 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5405 -23.5405 -23.5404 -23.5404 -20.5579 -20.5579 -20.5579 -20.5579 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.6007 -9.6007 -9.5885 -9.5885 -0.9552 -0.9552 -0.6415 -0.6415 1.2179 1.2179 1.5186 1.5186 2.6345 2.6345 2.6395 2.6395 3.3228 3.3228 k = 0.0071 0.0123-0.0000 ( 7505 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5405 -23.5405 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.6021 -9.6021 -9.5899 -9.5899 -0.9561 -0.9561 -0.6408 -0.6408 1.2258 1.2258 1.5273 1.5273 2.6543 2.6543 2.6680 2.6680 3.2975 3.2975 k = 0.0000 0.0000 0.0000 ( 7513 PWs) bands (ev): -23.5467 -23.5467 -23.5467 -23.5467 -23.5405 -23.5405 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.6026 -9.6026 -9.5904 -9.5904 -0.9564 -0.9564 -0.6405 -0.6405 1.2285 1.2285 1.5303 1.5303 2.6611 2.6611 2.6781 2.6781 3.2884 3.2884 k = 0.0000 0.0000 0.0000 ( 7513 PWs) bands (ev): -23.5467 -23.5467 -23.5467 -23.5467 -23.5405 -23.5405 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.6026 -9.6026 -9.5904 -9.5904 -0.9564 -0.9564 -0.6405 -0.6405 1.2285 1.2285 1.5303 1.5303 2.6611 2.6611 2.6781 2.6781 3.2884 3.2884 k = 0.0000 0.0000 0.0137 ( 7507 PWs) bands (ev): -23.5467 -23.5467 -23.5467 -23.5467 -23.5405 -23.5405 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.6026 -9.6026 -9.5904 -9.5904 -0.9555 -0.9555 -0.6416 -0.6416 1.2290 1.2290 1.5285 1.5285 2.6611 2.6611 2.6781 2.6781 3.2939 3.2939 k = 0.0000 0.0000 0.0274 ( 7513 PWs) bands (ev): -23.5467 -23.5467 -23.5467 -23.5467 -23.5405 -23.5405 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.6024 -9.6024 -9.5905 -9.5905 -0.9527 -0.9527 -0.6448 -0.6448 1.2306 1.2306 1.5232 1.5232 2.6613 2.6613 2.6779 2.6779 3.3102 3.3102 k = 0.0000 0.0000 0.0411 ( 7519 PWs) bands (ev): -23.5467 -23.5467 -23.5467 -23.5467 -23.5405 -23.5405 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.6022 -9.6022 -9.5907 -9.5907 -0.9482 -0.9482 -0.6501 -0.6501 1.2333 1.2333 1.5148 1.5148 2.6616 2.6616 2.6777 2.6777 3.3370 3.3370 k = 0.0000 0.0000 0.0548 ( 7495 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5405 -23.5405 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.6020 -9.6020 -9.5910 -9.5910 -0.9419 -0.9419 -0.6575 -0.6575 1.2371 1.2371 1.5035 1.5035 2.6619 2.6619 2.6773 2.6773 3.3737 3.3737 k = 0.0000 0.0000 0.0684 ( 7494 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5405 -23.5405 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.6017 -9.6017 -9.5913 -9.5913 -0.9340 -0.9340 -0.6667 -0.6667 1.2419 1.2420 1.4898 1.4898 2.6624 2.6624 2.6768 2.6768 3.4198 3.4198 k = 0.0000 0.0000 0.0821 ( 7518 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5405 -23.5405 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.6013 -9.6013 -9.5917 -9.5917 -0.9244 -0.9244 -0.6776 -0.6776 1.2479 1.2479 1.4743 1.4743 2.6629 2.6629 2.6763 2.6763 3.4743 3.4743 k = 0.0000 0.0000 0.0958 ( 7542 PWs) bands (ev): -23.5467 -23.5467 -23.5467 -23.5467 -23.5405 -23.5405 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.6008 -9.6008 -9.5922 -9.5922 -0.9133 -0.9133 -0.6902 -0.6902 1.2550 1.2550 1.4575 1.4575 2.6636 2.6636 2.6756 2.6756 3.5365 3.5365 k = 0.0000 0.0000 0.1095 ( 7542 PWs) bands (ev): -23.5467 -23.5467 -23.5467 -23.5467 -23.5405 -23.5405 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.6003 -9.6003 -9.5927 -9.5927 -0.9008 -0.9008 -0.7041 -0.7041 1.2632 1.2632 1.4398 1.4398 2.6643 2.6643 2.6749 2.6749 3.6055 3.6055 k = 0.0000 0.0000 0.1232 ( 7542 PWs) bands (ev): -23.5467 -23.5467 -23.5467 -23.5467 -23.5405 -23.5405 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5502 -20.5502 -20.5501 -20.5501 -9.5997 -9.5997 -9.5932 -9.5932 -0.8871 -0.8871 -0.7193 -0.7193 1.2725 1.2725 1.4218 1.4218 2.6651 2.6651 2.6741 2.6741 3.6805 3.6805 k = 0.0000 0.0000 0.1369 ( 7542 PWs) bands (ev): -23.5467 -23.5467 -23.5467 -23.5467 -23.5405 -23.5405 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5991 -9.5991 -9.5938 -9.5938 -0.8722 -0.8722 -0.7354 -0.7354 1.2830 1.2830 1.4036 1.4036 2.6659 2.6659 2.6733 2.6733 3.7605 3.7605 k = 0.0000 0.0000 0.1506 ( 7500 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5985 -9.5985 -9.5945 -9.5945 -0.8564 -0.8564 -0.7522 -0.7522 1.2946 1.2946 1.3858 1.3858 2.6668 2.6668 2.6724 2.6724 3.8447 3.8447 k = 0.0000 0.0000 0.1643 ( 7494 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5979 -9.5979 -9.5951 -9.5951 -0.8398 -0.8398 -0.7696 -0.7696 1.3073 1.3073 1.3684 1.3684 2.6677 2.6677 2.6715 2.6715 3.9322 3.9322 k = 0.0000 0.0000 0.1779 ( 7518 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5972 -9.5972 -9.5958 -9.5958 -0.8226 -0.8226 -0.7873 -0.7873 1.3211 1.3211 1.3518 1.3518 2.6686 2.6686 2.6705 2.6705 4.0221 4.0221 k = 0.0000 0.0000 0.1916 ( 7512 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5965 -9.5965 -9.5965 -9.5965 -0.8050 -0.8050 -0.8050 -0.8050 1.3360 1.3360 1.3360 1.3360 2.6696 2.6696 2.6696 2.6696 4.1134 4.1134 k = 0.0000 0.0000 0.1916 ( 7512 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5965 -9.5965 -9.5965 -9.5965 -0.8050 -0.8050 -0.8050 -0.8050 1.3360 1.3360 1.3360 1.3360 2.6696 2.6696 2.6696 2.6696 4.1134 4.1134 k = 0.0125 0.0072 0.1916 ( 7526 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5960 -9.5960 -9.5960 -9.5960 -0.8050 -0.8050 -0.8050 -0.8050 1.3332 1.3332 1.3332 1.3332 2.6620 2.6620 2.6620 2.6620 4.1204 4.1204 k = 0.0250 0.0144 0.1916 ( 7520 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5579 -20.5579 -20.5579 -20.5579 -20.5508 -20.5508 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5945 -9.5945 -9.5945 -9.5945 -0.8047 -0.8047 -0.8047 -0.8047 1.3249 1.3249 1.3249 1.3249 2.6397 2.6397 2.6397 2.6397 4.1406 4.1406 k = 0.0375 0.0217 0.1916 ( 7518 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5579 -20.5579 -20.5579 -20.5579 -20.5508 -20.5508 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5921 -9.5921 -9.5921 -9.5921 -0.8044 -0.8044 -0.8044 -0.8044 1.3112 1.3112 1.3112 1.3112 2.6047 2.6047 2.6047 2.6047 4.1723 4.1723 k = 0.0500 0.0289 0.1916 ( 7516 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5578 -20.5578 -20.5578 -20.5578 -20.5509 -20.5509 -20.5509 -20.5509 -20.5501 -20.5501 -20.5501 -20.5501 -9.5886 -9.5886 -9.5886 -9.5886 -0.8041 -0.8041 -0.8041 -0.8041 1.2920 1.2920 1.2920 1.2920 2.5594 2.5594 2.5594 2.5594 4.2131 4.2131 k = 0.0625 0.0361 0.1916 ( 7516 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5578 -20.5578 -20.5578 -20.5578 -20.5509 -20.5509 -20.5509 -20.5509 -20.5500 -20.5500 -20.5500 -20.5500 -9.5843 -9.5843 -9.5843 -9.5843 -0.8038 -0.8038 -0.8038 -0.8038 1.2675 1.2675 1.2675 1.2675 2.5065 2.5065 2.5065 2.5065 4.2605 4.2605 k = 0.0750 0.0433 0.1916 ( 7506 PWs) bands (ev): -23.5465 -23.5465 -23.5465 -23.5465 -23.5404 -23.5404 -23.5404 -23.5404 -20.5577 -20.5577 -20.5577 -20.5577 -20.5509 -20.5509 -20.5509 -20.5509 -20.5500 -20.5500 -20.5500 -20.5500 -9.5789 -9.5789 -9.5789 -9.5789 -0.8037 -0.8037 -0.8037 -0.8037 1.2378 1.2378 1.2378 1.2378 2.4485 2.4485 2.4485 2.4485 4.3119 4.3119 k = 0.0875 0.0505 0.1916 ( 7502 PWs) bands (ev): -23.5465 -23.5465 -23.5465 -23.5465 -23.5404 -23.5404 -23.5404 -23.5404 -20.5576 -20.5576 -20.5576 -20.5576 -20.5509 -20.5509 -20.5509 -20.5509 -20.5500 -20.5500 -20.5500 -20.5500 -9.5727 -9.5727 -9.5727 -9.5727 -0.8040 -0.8040 -0.8040 -0.8040 1.2032 1.2032 1.2032 1.2032 2.3878 2.3878 2.3878 2.3878 4.3655 4.3655 k = 0.1000 0.0577 0.1916 ( 7500 PWs) bands (ev): -23.5464 -23.5464 -23.5464 -23.5464 -23.5404 -23.5404 -23.5404 -23.5404 -20.5575 -20.5575 -20.5575 -20.5575 -20.5509 -20.5509 -20.5509 -20.5509 -20.5499 -20.5499 -20.5499 -20.5499 -9.5656 -9.5656 -9.5656 -9.5656 -0.8047 -0.8047 -0.8047 -0.8047 1.1640 1.1640 1.1640 1.1640 2.3261 2.3261 2.3261 2.3261 4.4198 4.4198 k = 0.1125 0.0650 0.1916 ( 7508 PWs) bands (ev): -23.5464 -23.5464 -23.5464 -23.5464 -23.5404 -23.5404 -23.5404 -23.5404 -20.5574 -20.5574 -20.5574 -20.5574 -20.5509 -20.5509 -20.5509 -20.5509 -20.5499 -20.5499 -20.5499 -20.5499 -9.5577 -9.5577 -9.5577 -9.5577 -0.8062 -0.8062 -0.8062 -0.8062 1.1207 1.1207 1.1207 1.1207 2.2648 2.2648 2.2648 2.2648 4.4735 4.4735 k = 0.1250 0.0722 0.1916 ( 7508 PWs) bands (ev): -23.5463 -23.5463 -23.5463 -23.5463 -23.5404 -23.5404 -23.5404 -23.5404 -20.5573 -20.5573 -20.5573 -20.5573 -20.5509 -20.5509 -20.5509 -20.5509 -20.5498 -20.5498 -20.5498 -20.5498 -9.5489 -9.5489 -9.5489 -9.5489 -0.8087 -0.8087 -0.8087 -0.8087 1.0739 1.0739 1.0739 1.0739 2.2050 2.2050 2.2050 2.2050 4.5260 4.5260 k = 0.1375 0.0794 0.1916 ( 7510 PWs) bands (ev): -23.5463 -23.5463 -23.5463 -23.5463 -23.5404 -23.5404 -23.5404 -23.5404 -20.5572 -20.5572 -20.5572 -20.5572 -20.5509 -20.5509 -20.5509 -20.5509 -20.5497 -20.5497 -20.5497 -20.5497 -9.5394 -9.5394 -9.5394 -9.5394 -0.8124 -0.8124 -0.8124 -0.8124 1.0243 1.0243 1.0243 1.0243 2.1475 2.1475 2.1475 2.1475 4.5767 4.5767 k = 0.1500 0.0866 0.1916 ( 7512 PWs) bands (ev): -23.5462 -23.5462 -23.5462 -23.5462 -23.5403 -23.5403 -23.5403 -23.5403 -20.5570 -20.5570 -20.5570 -20.5570 -20.5510 -20.5510 -20.5510 -20.5510 -20.5496 -20.5496 -20.5496 -20.5496 -9.5292 -9.5292 -9.5292 -9.5292 -0.8176 -0.8176 -0.8176 -0.8176 0.9726 0.9726 0.9726 0.9726 2.0927 2.0927 2.0927 2.0927 4.6253 4.6253 k = 0.1625 0.0938 0.1916 ( 7516 PWs) bands (ev): -23.5461 -23.5461 -23.5461 -23.5461 -23.5403 -23.5403 -23.5403 -23.5403 -20.5569 -20.5569 -20.5569 -20.5569 -20.5510 -20.5510 -20.5510 -20.5510 -20.5496 -20.5496 -20.5496 -20.5496 -9.5183 -9.5183 -9.5183 -9.5183 -0.8246 -0.8246 -0.8246 -0.8246 0.9199 0.9199 0.9199 0.9199 2.0408 2.0408 2.0408 2.0408 4.6717 4.6717 k = 0.1750 0.1010 0.1916 ( 7504 PWs) bands (ev): -23.5461 -23.5461 -23.5461 -23.5461 -23.5403 -23.5403 -23.5403 -23.5403 -20.5567 -20.5567 -20.5567 -20.5567 -20.5510 -20.5510 -20.5510 -20.5510 -20.5495 -20.5495 -20.5495 -20.5495 -9.5068 -9.5068 -9.5068 -9.5068 -0.8338 -0.8338 -0.8338 -0.8338 0.8670 0.8670 0.8670 0.8670 1.9921 1.9921 1.9921 1.9921 4.7158 4.7158 k = 0.1875 0.1083 0.1916 ( 7520 PWs) bands (ev): -23.5460 -23.5460 -23.5460 -23.5460 -23.5403 -23.5403 -23.5403 -23.5403 -20.5566 -20.5566 -20.5566 -20.5566 -20.5510 -20.5510 -20.5510 -20.5510 -20.5494 -20.5494 -20.5494 -20.5494 -9.4948 -9.4948 -9.4948 -9.4948 -0.8455 -0.8455 -0.8455 -0.8455 0.8150 0.8150 0.8150 0.8150 1.9464 1.9464 1.9464 1.9464 4.7576 4.7576 k = 0.2000 0.1155 0.1916 ( 7526 PWs) bands (ev): -23.5459 -23.5459 -23.5459 -23.5459 -23.5403 -23.5403 -23.5403 -23.5403 -20.5565 -20.5565 -20.5565 -20.5565 -20.5510 -20.5510 -20.5510 -20.5510 -20.5493 -20.5493 -20.5493 -20.5493 -9.4822 -9.4822 -9.4822 -9.4822 -0.8598 -0.8598 -0.8598 -0.8598 0.7645 0.7645 0.7645 0.7645 1.9039 1.9039 1.9039 1.9039 4.7971 4.7971 k = 0.2125 0.1227 0.1916 ( 7518 PWs) bands (ev): -23.5458 -23.5458 -23.5458 -23.5458 -23.5402 -23.5402 -23.5402 -23.5402 -20.5563 -20.5563 -20.5563 -20.5563 -20.5510 -20.5510 -20.5510 -20.5510 -20.5492 -20.5492 -20.5492 -20.5492 -9.4693 -9.4693 -9.4693 -9.4693 -0.8771 -0.8771 -0.8771 -0.8771 0.7166 0.7166 0.7166 0.7166 1.8643 1.8643 1.8643 1.8643 4.8341 4.8341 k = 0.2250 0.1299 0.1916 ( 7516 PWs) bands (ev): -23.5457 -23.5457 -23.5457 -23.5457 -23.5402 -23.5402 -23.5402 -23.5402 -20.5562 -20.5562 -20.5562 -20.5562 -20.5510 -20.5510 -20.5510 -20.5510 -20.5491 -20.5491 -20.5491 -20.5491 -9.4559 -9.4559 -9.4559 -9.4559 -0.8974 -0.8974 -0.8974 -0.8974 0.6718 0.6718 0.6718 0.6718 1.8276 1.8276 1.8276 1.8276 4.8686 4.8686 k = 0.2375 0.1371 0.1916 ( 7502 PWs) bands (ev): -23.5457 -23.5457 -23.5457 -23.5457 -23.5402 -23.5402 -23.5402 -23.5402 -20.5561 -20.5561 -20.5561 -20.5561 -20.5510 -20.5510 -20.5510 -20.5510 -20.5490 -20.5490 -20.5490 -20.5490 -9.4424 -9.4424 -9.4424 -9.4424 -0.9208 -0.9208 -0.9208 -0.9208 0.6306 0.6306 0.6306 0.6306 1.7938 1.7938 1.7938 1.7938 4.9004 4.9004 k = 0.2500 0.1443 0.1916 ( 7502 PWs) bands (ev): -23.5456 -23.5456 -23.5456 -23.5456 -23.5402 -23.5402 -23.5402 -23.5402 -20.5560 -20.5560 -20.5560 -20.5560 -20.5510 -20.5510 -20.5510 -20.5510 -20.5488 -20.5488 -20.5488 -20.5488 -9.4286 -9.4286 -9.4286 -9.4286 -0.9474 -0.9474 -0.9474 -0.9474 0.5935 0.5935 0.5935 0.5935 1.7626 1.7626 1.7626 1.7626 4.9293 4.9293 k = 0.2625 0.1516 0.1916 ( 7514 PWs) bands (ev): -23.5455 -23.5455 -23.5455 -23.5455 -23.5401 -23.5401 -23.5401 -23.5401 -20.5558 -20.5558 -20.5558 -20.5558 -20.5509 -20.5509 -20.5509 -20.5509 -20.5487 -20.5487 -20.5487 -20.5487 -9.4147 -9.4147 -9.4147 -9.4147 -0.9768 -0.9768 -0.9768 -0.9768 0.5606 0.5606 0.5606 0.5606 1.7341 1.7341 1.7341 1.7341 4.9552 4.9552 k = 0.2750 0.1588 0.1916 ( 7512 PWs) bands (ev): -23.5454 -23.5454 -23.5454 -23.5454 -23.5401 -23.5401 -23.5401 -23.5401 -20.5557 -20.5557 -20.5557 -20.5557 -20.5509 -20.5509 -20.5509 -20.5509 -20.5486 -20.5486 -20.5486 -20.5486 -9.4008 -9.4008 -9.4008 -9.4008 -1.0088 -1.0088 -1.0088 -1.0088 0.5319 0.5319 0.5319 0.5319 1.7082 1.7082 1.7082 1.7082 4.9778 4.9778 k = 0.2875 0.1660 0.1916 ( 7510 PWs) bands (ev): -23.5453 -23.5453 -23.5453 -23.5453 -23.5401 -23.5401 -23.5401 -23.5401 -20.5557 -20.5557 -20.5557 -20.5557 -20.5509 -20.5509 -20.5509 -20.5509 -20.5485 -20.5485 -20.5485 -20.5485 -9.3870 -9.3870 -9.3870 -9.3870 -1.0430 -1.0430 -1.0430 -1.0430 0.5073 0.5073 0.5073 0.5073 1.6848 1.6848 1.6848 1.6848 4.9969 4.9969 k = 0.3000 0.1732 0.1916 ( 7502 PWs) bands (ev): -23.5453 -23.5453 -23.5453 -23.5453 -23.5401 -23.5401 -23.5401 -23.5401 -20.5556 -20.5556 -20.5556 -20.5556 -20.5508 -20.5508 -20.5508 -20.5508 -20.5484 -20.5484 -20.5484 -20.5484 -9.3733 -9.3733 -9.3733 -9.3733 -1.0789 -1.0789 -1.0789 -1.0789 0.4867 0.4867 0.4867 0.4867 1.6638 1.6638 1.6638 1.6638 5.0122 5.0122 k = 0.3125 0.1804 0.1916 ( 7498 PWs) bands (ev): -23.5452 -23.5452 -23.5452 -23.5452 -23.5400 -23.5400 -23.5400 -23.5400 -20.5555 -20.5555 -20.5555 -20.5555 -20.5508 -20.5508 -20.5508 -20.5508 -20.5482 -20.5482 -20.5482 -20.5482 -9.3598 -9.3598 -9.3598 -9.3598 -1.1160 -1.1160 -1.1160 -1.1160 0.4696 0.4696 0.4696 0.4696 1.6452 1.6452 1.6452 1.6452 5.0235 5.0235 k = 0.3250 0.1876 0.1916 ( 7506 PWs) bands (ev): -23.5451 -23.5451 -23.5451 -23.5451 -23.5400 -23.5400 -23.5400 -23.5400 -20.5554 -20.5554 -20.5554 -20.5554 -20.5508 -20.5508 -20.5508 -20.5508 -20.5481 -20.5481 -20.5481 -20.5481 -9.3467 -9.3467 -9.3467 -9.3467 -1.1538 -1.1538 -1.1538 -1.1538 0.4556 0.4556 0.4556 0.4556 1.6290 1.6290 1.6290 1.6290 5.0309 5.0309 k = 0.3375 0.1949 0.1916 ( 7506 PWs) bands (ev): -23.5450 -23.5450 -23.5450 -23.5450 -23.5400 -23.5400 -23.5400 -23.5400 -20.5554 -20.5554 -20.5554 -20.5554 -20.5507 -20.5507 -20.5507 -20.5507 -20.5480 -20.5480 -20.5480 -20.5480 -9.3340 -9.3340 -9.3340 -9.3340 -1.1916 -1.1916 -1.1916 -1.1916 0.4445 0.4445 0.4445 0.4445 1.6149 1.6149 1.6149 1.6149 5.0343 5.0343 k = 0.3500 0.2021 0.1916 ( 7510 PWs) bands (ev): -23.5450 -23.5450 -23.5450 -23.5450 -23.5400 -23.5400 -23.5400 -23.5400 -20.5553 -20.5553 -20.5553 -20.5553 -20.5507 -20.5507 -20.5507 -20.5507 -20.5479 -20.5479 -20.5479 -20.5479 -9.3218 -9.3218 -9.3218 -9.3218 -1.2289 -1.2289 -1.2289 -1.2289 0.4357 0.4357 0.4357 0.4357 1.6030 1.6030 1.6030 1.6030 5.0340 5.0340 k = 0.3625 0.2093 0.1916 ( 7510 PWs) bands (ev): -23.5449 -23.5449 -23.5449 -23.5449 -23.5400 -23.5400 -23.5400 -23.5400 -20.5553 -20.5553 -20.5553 -20.5553 -20.5506 -20.5506 -20.5506 -20.5506 -20.5477 -20.5477 -20.5477 -20.5477 -9.3102 -9.3102 -9.3102 -9.3102 -1.2652 -1.2652 -1.2652 -1.2652 0.4289 0.4289 0.4289 0.4289 1.5930 1.5930 1.5930 1.5930 5.0303 5.0303 k = 0.3750 0.2165 0.1916 ( 7516 PWs) bands (ev): -23.5449 -23.5449 -23.5449 -23.5449 -23.5399 -23.5399 -23.5399 -23.5399 -20.5553 -20.5553 -20.5553 -20.5553 -20.5506 -20.5506 -20.5506 -20.5506 -20.5476 -20.5476 -20.5476 -20.5476 -9.2993 -9.2993 -9.2993 -9.2993 -1.3000 -1.3000 -1.3000 -1.3000 0.4237 0.4237 0.4237 0.4237 1.5848 1.5848 1.5848 1.5848 5.0236 5.0236 k = 0.3875 0.2237 0.1916 ( 7526 PWs) bands (ev): -23.5448 -23.5448 -23.5448 -23.5448 -23.5399 -23.5399 -23.5399 -23.5399 -20.5552 -20.5552 -20.5552 -20.5552 -20.5506 -20.5506 -20.5506 -20.5506 -20.5475 -20.5475 -20.5475 -20.5475 -9.2892 -9.2892 -9.2892 -9.2892 -1.3327 -1.3327 -1.3327 -1.3327 0.4198 0.4198 0.4198 0.4198 1.5783 1.5783 1.5783 1.5783 5.0145 5.0145 k = 0.4000 0.2309 0.1916 ( 7514 PWs) bands (ev): -23.5448 -23.5448 -23.5448 -23.5448 -23.5399 -23.5399 -23.5399 -23.5399 -20.5552 -20.5552 -20.5552 -20.5552 -20.5505 -20.5505 -20.5505 -20.5505 -20.5474 -20.5474 -20.5474 -20.5474 -9.2799 -9.2799 -9.2799 -9.2799 -1.3631 -1.3631 -1.3631 -1.3631 0.4169 0.4169 0.4169 0.4169 1.5732 1.5732 1.5732 1.5732 5.0038 5.0038 k = 0.4125 0.2382 0.1916 ( 7512 PWs) bands (ev): -23.5447 -23.5447 -23.5447 -23.5447 -23.5399 -23.5399 -23.5399 -23.5399 -20.5552 -20.5552 -20.5552 -20.5552 -20.5505 -20.5505 -20.5505 -20.5505 -20.5473 -20.5473 -20.5473 -20.5473 -9.2714 -9.2714 -9.2714 -9.2714 -1.3908 -1.3908 -1.3908 -1.3908 0.4148 0.4148 0.4148 0.4148 1.5694 1.5694 1.5694 1.5694 4.9921 4.9921 k = 0.4250 0.2454 0.1916 ( 7504 PWs) bands (ev): -23.5447 -23.5447 -23.5447 -23.5447 -23.5399 -23.5399 -23.5399 -23.5399 -20.5552 -20.5552 -20.5552 -20.5552 -20.5505 -20.5505 -20.5505 -20.5505 -20.5473 -20.5473 -20.5473 -20.5473 -9.2640 -9.2640 -9.2640 -9.2640 -1.4153 -1.4153 -1.4153 -1.4153 0.4133 0.4133 0.4133 0.4133 1.5666 1.5666 1.5666 1.5666 4.9801 4.9801 k = 0.4375 0.2526 0.1916 ( 7504 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5399 -23.5399 -23.5399 -23.5399 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5472 -20.5472 -20.5472 -20.5472 -9.2576 -9.2576 -9.2576 -9.2576 -1.4366 -1.4366 -1.4366 -1.4366 0.4123 0.4123 0.4123 0.4123 1.5647 1.5647 1.5647 1.5647 4.9686 4.9686 k = 0.4500 0.2598 0.1916 ( 7496 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5471 -20.5471 -9.2523 -9.2523 -9.2523 -9.2523 -1.4542 -1.4542 -1.4542 -1.4542 0.4116 0.4116 0.4116 0.4116 1.5634 1.5634 1.5634 1.5634 4.9582 4.9582 k = 0.4625 0.2670 0.1916 ( 7496 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5471 -20.5471 -9.2482 -9.2482 -9.2482 -9.2482 -1.4682 -1.4682 -1.4682 -1.4682 0.4111 0.4111 0.4111 0.4111 1.5626 1.5626 1.5626 1.5626 4.9495 4.9495 k = 0.4750 0.2742 0.1916 ( 7496 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5471 -20.5471 -9.2452 -9.2452 -9.2452 -9.2452 -1.4782 -1.4782 -1.4782 -1.4782 0.4108 0.4108 0.4108 0.4108 1.5622 1.5622 1.5622 1.5622 4.9430 4.9430 k = 0.4875 0.2815 0.1916 ( 7498 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5471 -20.5471 -9.2434 -9.2434 -9.2434 -9.2434 -1.4843 -1.4843 -1.4843 -1.4843 0.4106 0.4106 0.4106 0.4106 1.5620 1.5620 1.5620 1.5620 4.9389 4.9389 k = 0.5000 0.2887 0.1916 ( 7508 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5470 -20.5470 -20.5470 -20.5470 -9.2427 -9.2427 -9.2427 -9.2427 -1.4863 -1.4863 -1.4863 -1.4863 0.4106 0.4106 0.4106 0.4106 1.5619 1.5619 1.5619 1.5619 4.9375 4.9375 k = 0.5000 0.2887 0.1916 ( 7508 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5470 -20.5470 -20.5470 -20.5470 -9.2427 -9.2427 -9.2427 -9.2427 -1.4863 -1.4863 -1.4863 -1.4863 0.4106 0.4106 0.4106 0.4106 1.5619 1.5619 1.5619 1.5619 4.9375 4.9375 k = 0.4931 0.3007 0.1916 ( 7494 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5551 -20.5551 -20.5551 -20.5551 -20.5504 -20.5504 -20.5504 -20.5504 -20.5470 -20.5470 -20.5470 -20.5470 -9.2426 -9.2426 -9.2426 -9.2426 -1.4857 -1.4857 -1.4857 -1.4857 0.4101 0.4101 0.4105 0.4105 1.5569 1.5569 1.5575 1.5575 4.9388 4.9388 k = 0.4861 0.3127 0.1916 ( 7490 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5551 -20.5551 -20.5551 -20.5551 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5471 -20.5471 -9.2421 -9.2421 -9.2421 -9.2421 -1.4840 -1.4840 -1.4839 -1.4839 0.4092 0.4092 0.4099 0.4099 1.5429 1.5429 1.5440 1.5440 4.9461 4.9461 k = 0.4792 0.3248 0.1916 ( 7490 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5398 -23.5398 -23.5398 -23.5398 -20.5551 -20.5551 -20.5551 -20.5551 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5471 -20.5471 -9.2412 -9.2412 -9.2412 -9.2412 -1.4812 -1.4812 -1.4810 -1.4810 0.4076 0.4076 0.4087 0.4087 1.5203 1.5203 1.5220 1.5220 4.9590 4.9590 k = 0.4722 0.3368 0.1916 ( 7498 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5398 -23.5398 -23.5398 -23.5398 -20.5550 -20.5550 -20.5550 -20.5550 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5471 -20.5471 -9.2400 -9.2400 -9.2400 -9.2400 -1.4772 -1.4772 -1.4770 -1.4770 0.4053 0.4053 0.4068 0.4068 1.4901 1.4901 1.4923 1.4923 4.9767 4.9767 k = 0.4653 0.3488 0.1916 ( 7518 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5398 -23.5398 -23.5398 -23.5398 -20.5550 -20.5550 -20.5550 -20.5550 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5471 -20.5471 -9.2385 -9.2385 -9.2385 -9.2385 -1.4722 -1.4722 -1.4719 -1.4719 0.4021 0.4021 0.4040 0.4040 1.4536 1.4536 1.4563 1.4563 4.9984 4.9984 k = 0.4583 0.3608 0.1916 ( 7526 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5398 -23.5398 -23.5398 -23.5398 -20.5549 -20.5549 -20.5549 -20.5549 -20.5505 -20.5505 -20.5505 -20.5505 -20.5471 -20.5471 -20.5471 -20.5471 -9.2367 -9.2367 -9.2367 -9.2367 -1.4662 -1.4662 -1.4659 -1.4659 0.3979 0.3979 0.4002 0.4002 1.4120 1.4120 1.4152 1.4152 5.0234 5.0234 k = 0.4514 0.3729 0.1916 ( 7524 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5398 -23.5398 -23.5398 -23.5398 -20.5548 -20.5548 -20.5548 -20.5548 -20.5505 -20.5505 -20.5505 -20.5505 -20.5472 -20.5472 -20.5472 -20.5472 -9.2347 -9.2347 -9.2347 -9.2347 -1.4593 -1.4593 -1.4590 -1.4590 0.3923 0.3923 0.3951 0.3951 1.3669 1.3669 1.3707 1.3707 5.0511 5.0511 k = 0.4444 0.3849 0.1916 ( 7522 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5398 -23.5398 -23.5398 -23.5398 -20.5547 -20.5547 -20.5547 -20.5547 -20.5505 -20.5505 -20.5505 -20.5505 -20.5472 -20.5472 -20.5472 -20.5472 -9.2324 -9.2324 -9.2324 -9.2324 -1.4516 -1.4516 -1.4512 -1.4512 0.3852 0.3852 0.3884 0.3884 1.3199 1.3199 1.3241 1.3241 5.0810 5.0810 k = 0.4375 0.3969 0.1916 ( 7510 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5399 -23.5399 -23.5399 -23.5399 -20.5545 -20.5545 -20.5545 -20.5545 -20.5506 -20.5506 -20.5506 -20.5506 -20.5472 -20.5472 -20.5472 -20.5472 -9.2298 -9.2298 -9.2298 -9.2298 -1.4433 -1.4433 -1.4428 -1.4428 0.3762 0.3762 0.3799 0.3799 1.2723 1.2723 1.2771 1.2771 5.1128 5.1128 k = 0.4306 0.4090 0.1916 ( 7506 PWs) bands (ev): -23.5444 -23.5444 -23.5444 -23.5444 -23.5399 -23.5399 -23.5399 -23.5399 -20.5544 -20.5544 -20.5544 -20.5544 -20.5506 -20.5506 -20.5506 -20.5506 -20.5473 -20.5473 -20.5473 -20.5473 -9.2271 -9.2271 -9.2271 -9.2271 -1.4344 -1.4344 -1.4338 -1.4338 0.3651 0.3651 0.3693 0.3693 1.2256 1.2256 1.2309 1.2309 5.1464 5.1464 k = 0.4236 0.4210 0.1916 ( 7498 PWs) bands (ev): -23.5444 -23.5444 -23.5444 -23.5444 -23.5399 -23.5399 -23.5399 -23.5399 -20.5542 -20.5542 -20.5542 -20.5542 -20.5507 -20.5507 -20.5507 -20.5507 -20.5473 -20.5473 -20.5473 -20.5473 -9.2243 -9.2243 -9.2243 -9.2243 -1.4250 -1.4250 -1.4244 -1.4244 0.3517 0.3517 0.3564 0.3564 1.1811 1.1811 1.1869 1.1869 5.1818 5.1818 k = 0.4167 0.4330 0.1916 ( 7504 PWs) bands (ev): -23.5444 -23.5444 -23.5444 -23.5444 -23.5399 -23.5399 -23.5399 -23.5399 -20.5541 -20.5541 -20.5541 -20.5541 -20.5507 -20.5507 -20.5507 -20.5507 -20.5474 -20.5474 -20.5474 -20.5474 -9.2213 -9.2213 -9.2213 -9.2213 -1.4155 -1.4155 -1.4148 -1.4148 0.3359 0.3359 0.3411 0.3411 1.1399 1.1399 1.1461 1.1461 5.2188 5.2188 k = 0.4097 0.4450 0.1916 ( 7492 PWs) bands (ev): -23.5444 -23.5444 -23.5444 -23.5444 -23.5399 -23.5399 -23.5399 -23.5399 -20.5539 -20.5539 -20.5539 -20.5539 -20.5508 -20.5508 -20.5508 -20.5508 -20.5474 -20.5474 -20.5474 -20.5474 -9.2183 -9.2183 -9.2183 -9.2183 -1.4059 -1.4059 -1.4051 -1.4051 0.3178 0.3178 0.3234 0.3234 1.1027 1.1027 1.1093 1.1093 5.2577 5.2577 k = 0.4028 0.4571 0.1916 ( 7496 PWs) bands (ev): -23.5443 -23.5443 -23.5443 -23.5443 -23.5399 -23.5399 -23.5399 -23.5399 -20.5538 -20.5538 -20.5538 -20.5538 -20.5509 -20.5509 -20.5509 -20.5509 -20.5474 -20.5474 -20.5474 -20.5474 -9.2153 -9.2153 -9.2153 -9.2153 -1.3964 -1.3964 -1.3956 -1.3956 0.2977 0.2977 0.3037 0.3037 1.0702 1.0702 1.0771 1.0771 5.2983 5.2983 k = 0.3958 0.4691 0.1916 ( 7496 PWs) bands (ev): -23.5443 -23.5443 -23.5443 -23.5443 -23.5399 -23.5399 -23.5399 -23.5399 -20.5536 -20.5536 -20.5536 -20.5536 -20.5510 -20.5510 -20.5510 -20.5510 -20.5475 -20.5475 -20.5475 -20.5475 -9.2124 -9.2124 -9.2124 -9.2124 -1.3873 -1.3873 -1.3864 -1.3864 0.2760 0.2760 0.2823 0.2823 1.0424 1.0424 1.0496 1.0496 5.3407 5.3407 k = 0.3889 0.4811 0.1916 ( 7488 PWs) bands (ev): -23.5443 -23.5443 -23.5443 -23.5443 -23.5399 -23.5399 -23.5399 -23.5399 -20.5534 -20.5534 -20.5534 -20.5534 -20.5511 -20.5511 -20.5511 -20.5511 -20.5475 -20.5475 -20.5475 -20.5475 -9.2095 -9.2095 -9.2095 -9.2095 -1.3787 -1.3787 -1.3777 -1.3777 0.2534 0.2534 0.2600 0.2600 1.0194 1.0194 1.0268 1.0268 5.3850 5.3850 k = 0.3819 0.4932 0.1916 ( 7484 PWs) bands (ev): -23.5443 -23.5443 -23.5443 -23.5443 -23.5399 -23.5399 -23.5399 -23.5399 -20.5533 -20.5533 -20.5533 -20.5533 -20.5511 -20.5511 -20.5511 -20.5511 -20.5476 -20.5476 -20.5476 -20.5476 -9.2067 -9.2067 -9.2067 -9.2067 -1.3708 -1.3708 -1.3698 -1.3698 0.2308 0.2308 0.2376 0.2376 1.0010 1.0010 1.0085 1.0085 5.4310 5.4310 k = 0.3750 0.5052 0.1916 ( 7488 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5531 -20.5531 -20.5531 -20.5531 -20.5512 -20.5512 -20.5512 -20.5512 -20.5476 -20.5476 -20.5476 -20.5476 -9.2042 -9.2042 -9.2042 -9.2042 -1.3639 -1.3639 -1.3628 -1.3628 0.2091 0.2091 0.2160 0.2160 0.9865 0.9865 0.9942 0.9942 5.4786 5.4786 k = 0.3681 0.5172 0.1916 ( 7478 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5530 -20.5530 -20.5530 -20.5530 -20.5513 -20.5513 -20.5513 -20.5513 -20.5476 -20.5476 -20.5476 -20.5476 -9.2019 -9.2019 -9.2019 -9.2019 -1.3580 -1.3580 -1.3569 -1.3569 0.1890 0.1890 0.1960 0.1960 0.9756 0.9756 0.9833 0.9833 5.5276 5.5276 k = 0.3611 0.5292 0.1916 ( 7478 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5528 -20.5528 -20.5528 -20.5528 -20.5514 -20.5514 -20.5514 -20.5514 -20.5476 -20.5476 -20.5476 -20.5476 -9.1999 -9.1999 -9.1999 -9.1999 -1.3532 -1.3532 -1.3521 -1.3521 0.1715 0.1715 0.1785 0.1785 0.9677 0.9677 0.9754 0.9754 5.5773 5.5773 k = 0.3542 0.5413 0.1916 ( 7498 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5527 -20.5527 -20.5527 -20.5527 -20.5515 -20.5515 -20.5515 -20.5515 -20.5476 -20.5476 -20.5476 -20.5476 -9.1983 -9.1983 -9.1983 -9.1983 -1.3497 -1.3497 -1.3485 -1.3485 0.1571 0.1571 0.1642 0.1642 0.9623 0.9623 0.9700 0.9700 5.6267 5.6267 k = 0.3472 0.5533 0.1916 ( 7502 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5526 -20.5526 -20.5526 -20.5526 -20.5516 -20.5516 -20.5516 -20.5516 -20.5476 -20.5476 -20.5476 -20.5476 -9.1970 -9.1970 -9.1970 -9.1970 -1.3473 -1.3473 -1.3461 -1.3461 0.1465 0.1465 0.1536 0.1536 0.9589 0.9589 0.9666 0.9666 5.6730 5.6730 k = 0.3403 0.5653 0.1916 ( 7482 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1962 -9.1962 -9.1962 -9.1962 -1.3460 -1.3460 -1.3447 -1.3447 0.1400 0.1400 0.1471 0.1471 0.9571 0.9571 0.9648 0.9648 5.7099 5.7099 k = 0.3333 0.5774 0.1916 ( 7470 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3456 -1.3456 -1.3444 -1.3444 0.1378 0.1378 0.1449 0.1449 0.9566 0.9566 0.9643 0.9643 5.7251 5.7251 k = 0.3333 0.5774 0.1916 ( 7470 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3456 -1.3456 -1.3444 -1.3444 0.1378 0.1378 0.1449 0.1449 0.9566 0.9566 0.9643 0.9643 5.7251 5.7251 k = 0.3262 0.5651 0.1916 ( 7488 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1963 -9.1963 -9.1963 -9.1963 -1.3459 -1.3459 -1.3447 -1.3447 0.1401 0.1401 0.1472 0.1472 0.9571 0.9571 0.9647 0.9647 5.7097 5.7097 k = 0.3191 0.5528 0.1916 ( 7486 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5526 -20.5526 -20.5526 -20.5526 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5476 -20.5476 -9.1972 -9.1972 -9.1972 -9.1972 -1.3466 -1.3466 -1.3454 -1.3454 0.1468 0.1468 0.1539 0.1539 0.9584 0.9584 0.9661 0.9661 5.6735 5.6735 k = 0.3121 0.5405 0.1916 ( 7494 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5527 -20.5527 -20.5527 -20.5527 -20.5515 -20.5515 -20.5515 -20.5515 -20.5476 -20.5476 -20.5476 -20.5476 -9.1988 -9.1988 -9.1988 -9.1988 -1.3474 -1.3474 -1.3462 -1.3462 0.1578 0.1578 0.1649 0.1649 0.9604 0.9604 0.9681 0.9681 5.6300 5.6300 k = 0.3050 0.5282 0.1916 ( 7494 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5528 -20.5528 -20.5528 -20.5528 -20.5515 -20.5515 -20.5515 -20.5515 -20.5476 -20.5476 -20.5476 -20.5476 -9.2010 -9.2010 -9.2010 -9.2010 -1.3479 -1.3479 -1.3468 -1.3468 0.1726 0.1726 0.1797 0.1797 0.9630 0.9630 0.9707 0.9707 5.5854 5.5855 k = 0.2979 0.5159 0.1916 ( 7508 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5529 -20.5529 -20.5529 -20.5529 -20.5514 -20.5514 -20.5514 -20.5514 -20.5476 -20.5476 -20.5476 -20.5476 -9.2041 -9.2041 -9.2041 -9.2041 -1.3478 -1.3478 -1.3466 -1.3466 0.1908 0.1908 0.1979 0.1979 0.9663 0.9663 0.9741 0.9741 5.5426 5.5426 k = 0.2908 0.5036 0.1916 ( 7512 PWs) bands (ev): -23.5443 -23.5443 -23.5443 -23.5443 -23.5399 -23.5399 -23.5399 -23.5399 -20.5530 -20.5530 -20.5530 -20.5530 -20.5513 -20.5513 -20.5513 -20.5513 -20.5476 -20.5476 -20.5476 -20.5476 -9.2078 -9.2078 -9.2078 -9.2078 -1.3466 -1.3466 -1.3455 -1.3455 0.2119 0.2119 0.2190 0.2190 0.9703 0.9703 0.9782 0.9782 5.5026 5.5026 k = 0.2837 0.4914 0.1916 ( 7504 PWs) bands (ev): -23.5443 -23.5443 -23.5443 -23.5443 -23.5399 -23.5399 -23.5399 -23.5399 -20.5532 -20.5532 -20.5532 -20.5532 -20.5513 -20.5513 -20.5513 -20.5513 -20.5476 -20.5476 -20.5476 -20.5476 -9.2123 -9.2123 -9.2123 -9.2123 -1.3440 -1.3440 -1.3430 -1.3430 0.2353 0.2353 0.2425 0.2425 0.9754 0.9754 0.9832 0.9832 5.4658 5.4658 k = 0.2766 0.4791 0.1916 ( 7504 PWs) bands (ev): -23.5443 -23.5443 -23.5443 -23.5443 -23.5399 -23.5399 -23.5399 -23.5399 -20.5533 -20.5533 -20.5533 -20.5533 -20.5512 -20.5512 -20.5512 -20.5512 -20.5476 -20.5476 -20.5476 -20.5476 -9.2176 -9.2176 -9.2176 -9.2176 -1.3398 -1.3398 -1.3387 -1.3387 0.2604 0.2604 0.2676 0.2676 0.9816 0.9816 0.9896 0.9896 5.4324 5.4324 k = 0.2695 0.4668 0.1916 ( 7510 PWs) bands (ev): -23.5444 -23.5444 -23.5444 -23.5444 -23.5399 -23.5399 -23.5399 -23.5399 -20.5534 -20.5534 -20.5534 -20.5534 -20.5512 -20.5512 -20.5512 -20.5512 -20.5476 -20.5476 -20.5476 -20.5476 -9.2237 -9.2237 -9.2237 -9.2237 -1.3336 -1.3336 -1.3326 -1.3326 0.2865 0.2865 0.2937 0.2937 0.9895 0.9895 0.9975 0.9975 5.4022 5.4022 k = 0.2624 0.4545 0.1916 ( 7514 PWs) bands (ev): -23.5444 -23.5444 -23.5444 -23.5444 -23.5399 -23.5399 -23.5399 -23.5399 -20.5536 -20.5536 -20.5536 -20.5536 -20.5512 -20.5512 -20.5512 -20.5512 -20.5476 -20.5476 -20.5476 -20.5476 -9.2306 -9.2306 -9.2306 -9.2306 -1.3253 -1.3253 -1.3243 -1.3243 0.3130 0.3130 0.3201 0.3201 0.9995 0.9995 1.0074 1.0074 5.3751 5.3751 k = 0.2553 0.4422 0.1916 ( 7494 PWs) bands (ev): -23.5444 -23.5444 -23.5444 -23.5444 -23.5399 -23.5399 -23.5399 -23.5399 -20.5537 -20.5537 -20.5537 -20.5537 -20.5511 -20.5511 -20.5511 -20.5511 -20.5476 -20.5476 -20.5476 -20.5476 -9.2383 -9.2383 -9.2383 -9.2383 -1.3147 -1.3147 -1.3138 -1.3138 0.3391 0.3391 0.3462 0.3462 1.0119 1.0119 1.0198 1.0198 5.3507 5.3507 k = 0.2482 0.4299 0.1916 ( 7496 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5399 -23.5399 -23.5399 -23.5399 -20.5538 -20.5538 -20.5538 -20.5538 -20.5511 -20.5511 -20.5511 -20.5511 -20.5477 -20.5477 -20.5477 -20.5477 -9.2467 -9.2467 -9.2467 -9.2467 -1.3017 -1.3017 -1.3008 -1.3008 0.3643 0.3643 0.3712 0.3712 1.0274 1.0274 1.0351 1.0351 5.3285 5.3285 k = 0.2411 0.4177 0.1916 ( 7492 PWs) bands (ev): -23.5445 -23.5445 -23.5445 -23.5445 -23.5399 -23.5399 -23.5399 -23.5399 -20.5540 -20.5540 -20.5540 -20.5540 -20.5511 -20.5511 -20.5511 -20.5511 -20.5477 -20.5477 -20.5477 -20.5477 -9.2558 -9.2558 -9.2558 -9.2558 -1.2863 -1.2863 -1.2855 -1.2855 0.3879 0.3879 0.3947 0.3947 1.0464 1.0464 1.0539 1.0539 5.3081 5.3081 k = 0.2340 0.4054 0.1916 ( 7492 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5399 -23.5399 -23.5399 -23.5399 -20.5541 -20.5541 -20.5541 -20.5541 -20.5511 -20.5511 -20.5511 -20.5511 -20.5477 -20.5477 -20.5477 -20.5477 -9.2656 -9.2656 -9.2656 -9.2656 -1.2685 -1.2685 -1.2677 -1.2677 0.4097 0.4097 0.4162 0.4162 1.0691 1.0691 1.0764 1.0764 5.2891 5.2891 k = 0.2270 0.3931 0.1916 ( 7488 PWs) bands (ev): -23.5447 -23.5447 -23.5447 -23.5447 -23.5400 -23.5400 -23.5400 -23.5400 -20.5542 -20.5542 -20.5542 -20.5542 -20.5511 -20.5511 -20.5511 -20.5511 -20.5478 -20.5478 -20.5478 -20.5478 -9.2761 -9.2761 -9.2761 -9.2761 -1.2484 -1.2484 -1.2477 -1.2477 0.4294 0.4294 0.4355 0.4355 1.0959 1.0959 1.1028 1.1028 5.2707 5.2707 k = 0.2199 0.3808 0.1916 ( 7492 PWs) bands (ev): -23.5447 -23.5447 -23.5447 -23.5447 -23.5400 -23.5400 -23.5400 -23.5400 -20.5544 -20.5544 -20.5544 -20.5544 -20.5511 -20.5511 -20.5511 -20.5511 -20.5478 -20.5478 -20.5478 -20.5478 -9.2872 -9.2872 -9.2872 -9.2872 -1.2261 -1.2261 -1.2254 -1.2254 0.4470 0.4470 0.4528 0.4528 1.1267 1.1267 1.1333 1.1333 5.2525 5.2525 k = 0.2128 0.3685 0.1916 ( 7500 PWs) bands (ev): -23.5448 -23.5448 -23.5448 -23.5448 -23.5400 -23.5400 -23.5400 -23.5400 -20.5545 -20.5545 -20.5545 -20.5545 -20.5511 -20.5511 -20.5511 -20.5511 -20.5479 -20.5479 -20.5479 -20.5479 -9.2989 -9.2989 -9.2989 -9.2989 -1.2019 -1.2019 -1.2012 -1.2012 0.4628 0.4628 0.4681 0.4681 1.1614 1.1614 1.1675 1.1675 5.2340 5.2340 k = 0.2057 0.3562 0.1916 ( 7492 PWs) bands (ev): -23.5449 -23.5449 -23.5449 -23.5449 -23.5400 -23.5400 -23.5400 -23.5400 -20.5546 -20.5546 -20.5546 -20.5546 -20.5511 -20.5511 -20.5511 -20.5511 -20.5480 -20.5480 -20.5480 -20.5480 -9.3110 -9.3110 -9.3110 -9.3110 -1.1759 -1.1759 -1.1753 -1.1753 0.4771 0.4771 0.4820 0.4820 1.1997 1.1997 1.2054 1.2054 5.2147 5.2147 k = 0.1986 0.3440 0.1916 ( 7504 PWs) bands (ev): -23.5449 -23.5449 -23.5449 -23.5449 -23.5400 -23.5400 -23.5400 -23.5400 -20.5548 -20.5548 -20.5548 -20.5548 -20.5511 -20.5511 -20.5511 -20.5511 -20.5481 -20.5481 -20.5481 -20.5481 -9.3236 -9.3236 -9.3236 -9.3236 -1.1485 -1.1485 -1.1479 -1.1479 0.4906 0.4906 0.4951 0.4951 1.2413 1.2413 1.2465 1.2465 5.1942 5.1942 k = 0.1915 0.3317 0.1916 ( 7500 PWs) bands (ev): -23.5450 -23.5450 -23.5450 -23.5450 -23.5400 -23.5400 -23.5400 -23.5400 -20.5549 -20.5549 -20.5549 -20.5549 -20.5511 -20.5511 -20.5511 -20.5511 -20.5482 -20.5482 -20.5482 -20.5482 -9.3367 -9.3367 -9.3367 -9.3367 -1.1200 -1.1200 -1.1194 -1.1194 0.5039 0.5039 0.5079 0.5079 1.2856 1.2856 1.2904 1.2904 5.1721 5.1721 k = 0.1844 0.3194 0.1916 ( 7498 PWs) bands (ev): -23.5451 -23.5451 -23.5451 -23.5451 -23.5401 -23.5401 -23.5401 -23.5401 -20.5550 -20.5550 -20.5550 -20.5550 -20.5511 -20.5511 -20.5511 -20.5511 -20.5483 -20.5483 -20.5483 -20.5483 -9.3500 -9.3500 -9.3500 -9.3500 -1.0908 -1.0908 -1.0903 -1.0903 0.5176 0.5176 0.5213 0.5213 1.3323 1.3323 1.3367 1.3367 5.1483 5.1483 k = 0.1773 0.3071 0.1916 ( 7494 PWs) bands (ev): -23.5452 -23.5452 -23.5452 -23.5452 -23.5401 -23.5401 -23.5401 -23.5401 -20.5552 -20.5552 -20.5552 -20.5552 -20.5511 -20.5511 -20.5511 -20.5511 -20.5484 -20.5484 -20.5484 -20.5484 -9.3636 -9.3636 -9.3636 -9.3636 -1.0614 -1.0614 -1.0609 -1.0609 0.5325 0.5325 0.5358 0.5358 1.3809 1.3809 1.3849 1.3849 5.1225 5.1225 k = 0.1702 0.2948 0.1916 ( 7502 PWs) bands (ev): -23.5453 -23.5453 -23.5453 -23.5453 -23.5401 -23.5401 -23.5401 -23.5401 -20.5553 -20.5553 -20.5553 -20.5553 -20.5511 -20.5511 -20.5511 -20.5511 -20.5485 -20.5485 -20.5485 -20.5485 -9.3774 -9.3774 -9.3774 -9.3774 -1.0321 -1.0321 -1.0317 -1.0317 0.5493 0.5493 0.5522 0.5522 1.4310 1.4310 1.4346 1.4346 5.0947 5.0947 k = 0.1631 0.2825 0.1916 ( 7504 PWs) bands (ev): -23.5453 -23.5453 -23.5453 -23.5453 -23.5401 -23.5401 -23.5401 -23.5401 -20.5554 -20.5554 -20.5554 -20.5554 -20.5511 -20.5511 -20.5511 -20.5511 -20.5486 -20.5486 -20.5486 -20.5486 -9.3912 -9.3912 -9.3912 -9.3912 -1.0036 -1.0036 -1.0032 -1.0032 0.5684 0.5684 0.5710 0.5710 1.4822 1.4822 1.4855 1.4855 5.0649 5.0649 k = 0.1560 0.2702 0.1916 ( 7506 PWs) bands (ev): -23.5454 -23.5454 -23.5454 -23.5454 -23.5401 -23.5401 -23.5401 -23.5401 -20.5556 -20.5556 -20.5556 -20.5556 -20.5511 -20.5511 -20.5511 -20.5511 -20.5487 -20.5487 -20.5487 -20.5487 -9.4052 -9.4052 -9.4052 -9.4052 -0.9761 -0.9761 -0.9757 -0.9757 0.5906 0.5906 0.5929 0.5929 1.5344 1.5344 1.5374 1.5374 5.0331 5.0331 k = 0.1489 0.2580 0.1916 ( 7514 PWs) bands (ev): -23.5455 -23.5455 -23.5455 -23.5455 -23.5402 -23.5402 -23.5402 -23.5402 -20.5557 -20.5557 -20.5557 -20.5557 -20.5511 -20.5511 -20.5511 -20.5511 -20.5488 -20.5488 -20.5488 -20.5488 -9.4191 -9.4191 -9.4191 -9.4191 -0.9501 -0.9501 -0.9498 -0.9498 0.6161 0.6161 0.6181 0.6181 1.5873 1.5873 1.5900 1.5900 4.9994 4.9994 k = 0.1418 0.2457 0.1916 ( 7514 PWs) bands (ev): -23.5456 -23.5456 -23.5456 -23.5456 -23.5402 -23.5402 -23.5402 -23.5402 -20.5559 -20.5559 -20.5559 -20.5559 -20.5511 -20.5511 -20.5511 -20.5511 -20.5489 -20.5489 -20.5489 -20.5489 -9.4328 -9.4328 -9.4328 -9.4328 -0.9260 -0.9260 -0.9257 -0.9257 0.6452 0.6452 0.6470 0.6470 1.6407 1.6407 1.6431 1.6431 4.9639 4.9639 k = 0.1348 0.2334 0.1916 ( 7518 PWs) bands (ev): -23.5457 -23.5457 -23.5457 -23.5457 -23.5402 -23.5402 -23.5402 -23.5402 -20.5560 -20.5560 -20.5560 -20.5560 -20.5510 -20.5510 -20.5510 -20.5510 -20.5490 -20.5490 -20.5490 -20.5490 -9.4465 -9.4465 -9.4465 -9.4465 -0.9041 -0.9041 -0.9038 -0.9038 0.6781 0.6781 0.6796 0.6796 1.6945 1.6945 1.6967 1.6967 4.9267 4.9267 k = 0.1277 0.2211 0.1916 ( 7498 PWs) bands (ev): -23.5458 -23.5458 -23.5458 -23.5458 -23.5402 -23.5402 -23.5402 -23.5402 -20.5562 -20.5562 -20.5562 -20.5562 -20.5510 -20.5510 -20.5510 -20.5510 -20.5491 -20.5491 -20.5491 -20.5491 -9.4598 -9.4598 -9.4598 -9.4598 -0.8844 -0.8844 -0.8842 -0.8842 0.7147 0.7147 0.7161 0.7161 1.7487 1.7487 1.7507 1.7507 4.8878 4.8878 k = 0.1206 0.2088 0.1916 ( 7502 PWs) bands (ev): -23.5458 -23.5458 -23.5458 -23.5458 -23.5402 -23.5402 -23.5402 -23.5402 -20.5563 -20.5563 -20.5563 -20.5563 -20.5510 -20.5510 -20.5510 -20.5510 -20.5492 -20.5492 -20.5492 -20.5492 -9.4729 -9.4729 -9.4729 -9.4729 -0.8673 -0.8673 -0.8671 -0.8671 0.7548 0.7548 0.7560 0.7560 1.8034 1.8034 1.8052 1.8052 4.8474 4.8474 k = 0.1135 0.1965 0.1916 ( 7498 PWs) bands (ev): -23.5459 -23.5459 -23.5459 -23.5459 -23.5403 -23.5403 -23.5403 -23.5403 -20.5565 -20.5565 -20.5565 -20.5565 -20.5510 -20.5510 -20.5510 -20.5510 -20.5493 -20.5493 -20.5493 -20.5493 -9.4856 -9.4856 -9.4856 -9.4856 -0.8525 -0.8525 -0.8524 -0.8524 0.7980 0.7980 0.7990 0.7990 1.8586 1.8586 1.8602 1.8602 4.8053 4.8053 k = 0.1064 0.1843 0.1916 ( 7504 PWs) bands (ev): -23.5460 -23.5460 -23.5460 -23.5460 -23.5403 -23.5403 -23.5403 -23.5403 -20.5566 -20.5566 -20.5566 -20.5566 -20.5510 -20.5510 -20.5510 -20.5510 -20.5494 -20.5494 -20.5494 -20.5494 -9.4978 -9.4978 -9.4978 -9.4978 -0.8402 -0.8402 -0.8401 -0.8401 0.8438 0.8438 0.8447 0.8447 1.9145 1.9145 1.9158 1.9158 4.7617 4.7617 k = 0.0993 0.1720 0.1916 ( 7500 PWs) bands (ev): -23.5461 -23.5461 -23.5461 -23.5461 -23.5403 -23.5403 -23.5403 -23.5403 -20.5568 -20.5568 -20.5568 -20.5568 -20.5510 -20.5510 -20.5510 -20.5510 -20.5495 -20.5495 -20.5495 -20.5495 -9.5096 -9.5096 -9.5096 -9.5096 -0.8301 -0.8301 -0.8300 -0.8300 0.8915 0.8915 0.8922 0.8922 1.9711 1.9711 1.9723 1.9723 4.7164 4.7164 k = 0.0922 0.1597 0.1916 ( 7500 PWs) bands (ev): -23.5461 -23.5461 -23.5461 -23.5461 -23.5403 -23.5403 -23.5403 -23.5403 -20.5569 -20.5569 -20.5569 -20.5569 -20.5510 -20.5510 -20.5510 -20.5510 -20.5496 -20.5496 -20.5496 -20.5496 -9.5208 -9.5208 -9.5208 -9.5208 -0.8221 -0.8221 -0.8220 -0.8220 0.9403 0.9403 0.9409 0.9409 2.0287 2.0287 2.0297 2.0297 4.6696 4.6696 k = 0.0851 0.1474 0.1916 ( 7504 PWs) bands (ev): -23.5462 -23.5462 -23.5462 -23.5462 -23.5403 -23.5403 -23.5403 -23.5403 -20.5570 -20.5570 -20.5570 -20.5570 -20.5510 -20.5510 -20.5510 -20.5510 -20.5497 -20.5497 -20.5497 -20.5497 -9.5314 -9.5314 -9.5314 -9.5314 -0.8159 -0.8159 -0.8158 -0.8158 0.9894 0.9894 0.9898 0.9898 2.0874 2.0874 2.0883 2.0883 4.6211 4.6211 k = 0.0780 0.1351 0.1916 ( 7488 PWs) bands (ev): -23.5463 -23.5463 -23.5463 -23.5463 -23.5404 -23.5404 -23.5404 -23.5404 -20.5572 -20.5572 -20.5572 -20.5572 -20.5509 -20.5509 -20.5509 -20.5509 -20.5497 -20.5497 -20.5497 -20.5497 -9.5413 -9.5413 -9.5413 -9.5413 -0.8113 -0.8113 -0.8112 -0.8112 1.0377 1.0377 1.0381 1.0381 2.1473 2.1473 2.1480 2.1480 4.5710 4.5710 k = 0.0709 0.1228 0.1916 ( 7488 PWs) bands (ev): -23.5463 -23.5463 -23.5463 -23.5463 -23.5404 -23.5404 -23.5404 -23.5404 -20.5573 -20.5573 -20.5573 -20.5573 -20.5509 -20.5509 -20.5509 -20.5509 -20.5498 -20.5498 -20.5498 -20.5498 -9.5505 -9.5505 -9.5505 -9.5505 -0.8080 -0.8080 -0.8080 -0.8080 1.0846 1.0846 1.0849 1.0849 2.2083 2.2083 2.2089 2.2089 4.5195 4.5195 k = 0.0638 0.1106 0.1916 ( 7508 PWs) bands (ev): -23.5464 -23.5464 -23.5464 -23.5464 -23.5404 -23.5404 -23.5404 -23.5404 -20.5574 -20.5574 -20.5574 -20.5574 -20.5509 -20.5509 -20.5509 -20.5509 -20.5499 -20.5499 -20.5499 -20.5499 -9.5590 -9.5590 -9.5590 -9.5590 -0.8058 -0.8058 -0.8058 -0.8058 1.1291 1.1291 1.1293 1.1293 2.2701 2.2701 2.2706 2.2706 4.4666 4.4666 k = 0.0567 0.0983 0.1916 ( 7508 PWs) bands (ev): -23.5464 -23.5464 -23.5464 -23.5464 -23.5404 -23.5404 -23.5404 -23.5404 -20.5575 -20.5575 -20.5575 -20.5575 -20.5509 -20.5509 -20.5509 -20.5509 -20.5499 -20.5499 -20.5499 -20.5499 -9.5667 -9.5667 -9.5667 -9.5667 -0.8045 -0.8045 -0.8045 -0.8045 1.1704 1.1704 1.1706 1.1706 2.3323 2.3323 2.3326 2.3326 4.4130 4.4130 k = 0.0496 0.0860 0.1916 ( 7504 PWs) bands (ev): -23.5465 -23.5465 -23.5465 -23.5465 -23.5404 -23.5404 -23.5404 -23.5404 -20.5576 -20.5576 -20.5576 -20.5576 -20.5509 -20.5509 -20.5509 -20.5509 -20.5500 -20.5500 -20.5500 -20.5500 -9.5735 -9.5735 -9.5735 -9.5735 -0.8039 -0.8039 -0.8039 -0.8039 1.2080 1.2080 1.2081 1.2081 2.3940 2.3940 2.3943 2.3943 4.3593 4.3593 k = 0.0426 0.0737 0.1916 ( 7516 PWs) bands (ev): -23.5465 -23.5465 -23.5465 -23.5465 -23.5404 -23.5404 -23.5404 -23.5404 -20.5577 -20.5577 -20.5577 -20.5577 -20.5509 -20.5509 -20.5509 -20.5509 -20.5500 -20.5500 -20.5500 -20.5500 -9.5795 -9.5795 -9.5795 -9.5795 -0.8037 -0.8037 -0.8037 -0.8037 1.2412 1.2412 1.2413 1.2413 2.4541 2.4541 2.4543 2.4543 4.3065 4.3065 k = 0.0355 0.0614 0.1916 ( 7522 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5578 -20.5578 -20.5578 -20.5578 -20.5509 -20.5509 -20.5509 -20.5509 -20.5501 -20.5501 -20.5501 -20.5501 -9.5847 -9.5847 -9.5847 -9.5847 -0.8038 -0.8038 -0.8038 -0.8038 1.2698 1.2698 1.2699 1.2699 2.5110 2.5110 2.5111 2.5111 4.2562 4.2562 k = 0.0284 0.0491 0.1916 ( 7522 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5578 -20.5578 -20.5578 -20.5578 -20.5509 -20.5509 -20.5509 -20.5509 -20.5501 -20.5501 -20.5501 -20.5501 -9.5889 -9.5889 -9.5889 -9.5889 -0.8041 -0.8041 -0.8041 -0.8041 1.2935 1.2935 1.2935 1.2935 2.5627 2.5627 2.5628 2.5628 4.2100 4.2100 k = 0.0213 0.0369 0.1916 ( 7524 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5579 -20.5579 -20.5579 -20.5579 -20.5508 -20.5508 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5922 -9.5922 -9.5922 -9.5922 -0.8045 -0.8045 -0.8045 -0.8045 1.3120 1.3120 1.3120 1.3120 2.6068 2.6068 2.6068 2.6068 4.1704 4.1705 k = 0.0142 0.0246 0.1916 ( 7528 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5579 -20.5579 -20.5579 -20.5579 -20.5508 -20.5508 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5946 -9.5946 -9.5946 -9.5946 -0.8048 -0.8048 -0.8048 -0.8048 1.3253 1.3253 1.3253 1.3253 2.6407 2.6407 2.6407 2.6407 4.1397 4.1397 k = 0.0071 0.0123 0.1916 ( 7524 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5960 -9.5960 -9.5960 -9.5960 -0.8050 -0.8050 -0.8050 -0.8050 1.3333 1.3333 1.3333 1.3333 2.6622 2.6622 2.6622 2.6622 4.1202 4.1202 k = 0.0000 0.0000 0.1916 ( 7512 PWs) bands (ev): -23.5466 -23.5466 -23.5466 -23.5466 -23.5404 -23.5404 -23.5404 -23.5404 -20.5580 -20.5580 -20.5580 -20.5580 -20.5508 -20.5508 -20.5508 -20.5508 -20.5501 -20.5501 -20.5501 -20.5501 -9.5965 -9.5965 -9.5965 -9.5965 -0.8050 -0.8050 -0.8050 -0.8050 1.3360 1.3360 1.3360 1.3360 2.6696 2.6696 2.6696 2.6696 4.1134 4.1134 k = 0.5000 0.2887 0.1916 ( 7508 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5470 -20.5470 -20.5470 -20.5470 -9.2427 -9.2427 -9.2427 -9.2427 -1.4863 -1.4863 -1.4863 -1.4863 0.4106 0.4106 0.4106 0.4106 1.5619 1.5619 1.5619 1.5619 4.9375 4.9375 k = 0.5000 0.2887 0.1779 ( 7494 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5470 -20.5470 -20.5470 -20.5470 -9.2429 -9.2429 -9.2425 -9.2425 -1.4869 -1.4869 -1.4857 -1.4857 0.4064 0.4064 0.4148 0.4148 1.5566 1.5566 1.5671 1.5671 4.9129 4.9129 k = 0.5000 0.2887 0.1643 ( 7496 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5470 -20.5470 -20.5470 -20.5470 -9.2431 -9.2431 -9.2424 -9.2424 -1.4875 -1.4875 -1.4850 -1.4850 0.4021 0.4021 0.4188 0.4188 1.5513 1.5513 1.5723 1.5723 4.8939 4.8939 k = 0.5000 0.2887 0.1506 ( 7504 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5470 -20.5470 -20.5470 -20.5470 -9.2433 -9.2433 -9.2422 -9.2422 -1.4881 -1.4881 -1.4844 -1.4844 0.3979 0.3979 0.4227 0.4227 1.5461 1.5461 1.5772 1.5772 4.8805 4.8805 k = 0.5000 0.2887 0.1369 ( 7502 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5470 -20.5470 -20.5470 -20.5470 -9.2435 -9.2435 -9.2420 -9.2420 -1.4886 -1.4886 -1.4837 -1.4837 0.3939 0.3939 0.4264 0.4264 1.5411 1.5411 1.5819 1.5819 4.8729 4.8729 k = 0.5000 0.2887 0.1232 ( 7506 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5470 -20.5470 -20.5470 -20.5470 -9.2437 -9.2437 -9.2418 -9.2418 -1.4891 -1.4891 -1.4831 -1.4831 0.3899 0.3899 0.4298 0.4298 1.5364 1.5364 1.5863 1.5863 4.8709 4.8709 k = 0.5000 0.2887 0.1095 ( 7512 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5470 -20.5470 -9.2439 -9.2439 -9.2416 -9.2416 -1.4895 -1.4895 -1.4825 -1.4825 0.3863 0.3863 0.4330 0.4330 1.5319 1.5319 1.5903 1.5903 4.8746 4.8746 k = 0.5000 0.2887 0.0958 ( 7508 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5470 -20.5470 -20.5470 -20.5470 -9.2440 -9.2440 -9.2415 -9.2415 -1.4899 -1.4899 -1.4820 -1.4820 0.3829 0.3829 0.4358 0.4358 1.5278 1.5278 1.5939 1.5939 4.8837 4.8837 k = 0.5000 0.2887 0.0821 ( 7492 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5470 -20.5470 -20.5470 -20.5470 -9.2441 -9.2441 -9.2414 -9.2414 -1.4902 -1.4902 -1.4815 -1.4815 0.3798 0.3798 0.4384 0.4384 1.5241 1.5241 1.5971 1.5971 4.8979 4.8979 k = 0.5000 0.2887 0.0684 ( 7490 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5470 -20.5470 -20.5470 -20.5470 -9.2443 -9.2443 -9.2412 -9.2412 -1.4905 -1.4905 -1.4810 -1.4810 0.3771 0.3771 0.4405 0.4405 1.5209 1.5209 1.5999 1.5999 4.9167 4.9167 k = 0.5000 0.2887 0.0548 ( 7488 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5470 -20.5470 -20.5470 -20.5470 -9.2444 -9.2444 -9.2411 -9.2411 -1.4907 -1.4907 -1.4807 -1.4807 0.3749 0.3749 0.4423 0.4423 1.5183 1.5183 1.6022 1.6022 4.9394 4.9394 k = 0.5000 0.2887 0.0411 ( 7502 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5470 -20.5470 -20.5470 -20.5470 -9.2444 -9.2444 -9.2411 -9.2411 -1.4909 -1.4909 -1.4804 -1.4804 0.3731 0.3731 0.4437 0.4437 1.5161 1.5161 1.6040 1.6040 4.9645 4.9645 k = 0.5000 0.2887 0.0274 ( 7512 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5470 -20.5470 -9.2445 -9.2445 -9.2410 -9.2410 -1.4910 -1.4910 -1.4802 -1.4802 0.3718 0.3718 0.4447 0.4447 1.5146 1.5146 1.6052 1.6052 4.9896 4.9896 k = 0.5000 0.2887 0.0137 ( 7522 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5470 -20.5470 -9.2445 -9.2445 -9.2410 -9.2410 -1.4911 -1.4911 -1.4800 -1.4800 0.3710 0.3710 0.4453 0.4453 1.5137 1.5137 1.6060 1.6060 5.0098 5.0098 k = 0.5000 0.2887-0.0000 ( 7518 PWs) bands (ev): -23.5446 -23.5446 -23.5446 -23.5446 -23.5398 -23.5398 -23.5398 -23.5398 -20.5552 -20.5552 -20.5552 -20.5552 -20.5504 -20.5504 -20.5504 -20.5504 -20.5471 -20.5471 -20.5470 -20.5470 -9.2445 -9.2445 -9.2410 -9.2410 -1.4911 -1.4911 -1.4800 -1.4800 0.3707 0.3707 0.4455 0.4455 1.5134 1.5134 1.6063 1.6063 5.0180 5.0180 k = 0.3333 0.5774-0.0000 ( 7455 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3447 -1.3447 -1.3444 -1.3444 0.1434 0.1434 0.1456 0.1456 0.9507 0.9507 0.9521 0.9521 5.4992 5.4992 k = 0.3333 0.5774 0.0137 ( 7443 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3448 -1.3448 -1.3444 -1.3444 0.1433 0.1433 0.1456 0.1456 0.9508 0.9508 0.9523 0.9523 5.5017 5.5017 k = 0.3333 0.5774 0.0274 ( 7455 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3448 -1.3448 -1.3444 -1.3444 0.1430 0.1430 0.1457 0.1457 0.9510 0.9510 0.9527 0.9527 5.5092 5.5092 k = 0.3333 0.5774 0.0411 ( 7467 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3448 -1.3448 -1.3444 -1.3444 0.1426 0.1426 0.1457 0.1457 0.9514 0.9514 0.9535 0.9535 5.5218 5.5218 k = 0.3333 0.5774 0.0548 ( 7458 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3449 -1.3449 -1.3444 -1.3444 0.1421 0.1421 0.1457 0.1457 0.9518 0.9518 0.9544 0.9544 5.5393 5.5393 k = 0.3333 0.5774 0.0684 ( 7467 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3450 -1.3450 -1.3444 -1.3444 0.1415 0.1415 0.1457 0.1457 0.9524 0.9524 0.9556 0.9556 5.5618 5.5618 k = 0.3333 0.5774 0.0821 ( 7473 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3451 -1.3451 -1.3444 -1.3444 0.1409 0.1409 0.1456 0.1456 0.9530 0.9530 0.9569 0.9569 5.5893 5.5893 k = 0.3333 0.5774 0.0958 ( 7476 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3452 -1.3452 -1.3444 -1.3444 0.1403 0.1403 0.1456 0.1456 0.9537 0.9537 0.9582 0.9582 5.6215 5.6215 k = 0.3333 0.5774 0.1095 ( 7476 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3453 -1.3453 -1.3444 -1.3444 0.1397 0.1397 0.1454 0.1454 0.9543 0.9543 0.9596 0.9596 5.6586 5.6586 k = 0.3333 0.5774 0.1232 ( 7482 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3453 -1.3453 -1.3444 -1.3444 0.1392 0.1392 0.1453 0.1453 0.9549 0.9549 0.9608 0.9608 5.7005 5.7005 k = 0.3333 0.5774 0.1369 ( 7470 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3454 -1.3454 -1.3444 -1.3444 0.1387 0.1387 0.1452 0.1452 0.9555 0.9555 0.9620 0.9620 5.7469 5.7470 k = 0.3333 0.5774 0.1506 ( 7488 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3455 -1.3455 -1.3444 -1.3444 0.1384 0.1384 0.1451 0.1451 0.9560 0.9560 0.9629 0.9629 5.7518 5.7518 k = 0.3333 0.5774 0.1643 ( 7476 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3455 -1.3455 -1.3444 -1.3444 0.1381 0.1381 0.1450 0.1450 0.9563 0.9563 0.9637 0.9637 5.7370 5.7370 k = 0.3333 0.5774 0.1779 ( 7482 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3456 -1.3456 -1.3444 -1.3444 0.1379 0.1379 0.1450 0.1450 0.9565 0.9565 0.9641 0.9641 5.7281 5.7281 k = 0.3333 0.5774 0.1916 ( 7470 PWs) bands (ev): -23.5442 -23.5442 -23.5442 -23.5442 -23.5399 -23.5399 -23.5399 -23.5399 -20.5525 -20.5525 -20.5525 -20.5525 -20.5516 -20.5516 -20.5516 -20.5516 -20.5477 -20.5477 -20.5477 -20.5477 -9.1960 -9.1960 -9.1960 -9.1960 -1.3456 -1.3456 -1.3444 -1.3444 0.1378 0.1378 0.1449 0.1449 0.9566 0.9566 0.9643 0.9643 5.7251 5.7251 Writing output data file Bi.save init_run : 0.33s CPU 0.48s WALL ( 1 calls) electrons : 159.28s CPU 160.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 159.27s CPU 160.81s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 273 calls) cegterg : 146.22s CPU 147.29s WALL ( 398 calls) Called by sum_band: Called by *egterg: h_psi : 64.90s CPU 65.92s WALL ( 6590 calls) s_psi : 1.03s CPU 1.04s WALL ( 6590 calls) g_psi : 0.08s CPU 0.09s WALL ( 5919 calls) cdiaghg : 78.49s CPU 78.54s WALL ( 6192 calls) cegterg:over : 4.91s CPU 4.78s WALL ( 5919 calls) cegterg:upda : 2.73s CPU 2.97s WALL ( 5919 calls) cegterg:last : 1.19s CPU 1.18s WALL ( 671 calls) cdiaghg:chol : 2.22s CPU 2.35s WALL ( 6192 calls) cdiaghg:inve : 0.56s CPU 0.60s WALL ( 6192 calls) cdiaghg:para : 5.30s CPU 5.53s WALL ( 12384 calls) Called by h_psi: h_psi:vloc : 61.87s CPU 62.76s WALL ( 6590 calls) h_psi:vnl : 2.94s CPU 3.07s WALL ( 6590 calls) add_vuspsi : 1.34s CPU 1.32s WALL ( 6590 calls) General routines calbec : 1.59s CPU 1.73s WALL ( 6590 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 58.76s CPU 59.54s WALL ( 347844 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.12s CPU 0.13s WALL ( 546 calls) Parallel routines fft_scatter : 42.10s CPU 42.56s WALL ( 347867 calls) PWSCF : 3m12.27s CPU 3m25.29s WALL This run was terminated on: 2:41: 1 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=