Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9:50:29 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: ./Zr5Si3.save/ 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 44 44 12 1412 1412 206 Max 45 45 13 1417 1417 209 Sum 3205 3205 889 101795 101795 14989 bravais-lattice index = 14 lattice parameter (alat) = 15.2180 a.u. unit-cell volume = 2129.9963 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.217963 celldm(2)= 1.000000 celldm(3)= 0.697877 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 0.697877 ) 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 1.432918 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Zr 4.00 91.22400 Zr( 1.00) Si 4.00 28.08550 Si( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3489383 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3489383 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3489383 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3489383 ) 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 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3489383 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3489383 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3489383 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3489383 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3489383 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3489383 ) 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 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3489383 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3489383 ) 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= 221 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 2) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0045249 k( 3) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0045249 k( 4) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0045249 k( 5) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0045249 k( 6) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0045249 k( 7) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0045249 k( 8) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0045249 k( 9) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0045249 k( 10) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0045249 k( 11) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0045249 k( 12) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0045249 k( 13) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0045249 k( 14) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0045249 k( 15) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0045249 k( 16) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0045249 k( 17) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0045249 k( 18) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0045249 k( 19) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0045249 k( 20) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0045249 k( 21) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0045249 k( 22) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0045249 k( 23) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0045249 k( 24) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0045249 k( 25) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0045249 k( 26) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0045249 k( 27) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0045249 k( 28) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0045249 k( 29) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0045249 k( 30) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0045249 k( 31) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0045249 k( 32) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0045249 k( 33) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0045249 k( 34) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0045249 k( 35) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0045249 k( 36) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0045249 k( 37) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0045249 k( 38) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0045249 k( 39) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0045249 k( 40) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0045249 k( 41) = ( 0.3209877 0.5559669 -0.0000000), wk = 0.0045249 k( 42) = ( 0.3086420 0.5345836 -0.0000000), wk = 0.0045249 k( 43) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0045249 k( 44) = ( 0.2839506 0.4918169 -0.0000000), wk = 0.0045249 k( 45) = ( 0.2716049 0.4704336 -0.0000000), wk = 0.0045249 k( 46) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0045249 k( 47) = ( 0.2469136 0.4276669 -0.0000000), wk = 0.0045249 k( 48) = ( 0.2345679 0.4062835 -0.0000000), wk = 0.0045249 k( 49) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0045249 k( 50) = ( 0.2098765 0.3635168 -0.0000000), wk = 0.0045249 k( 51) = ( 0.1975309 0.3421335 -0.0000000), wk = 0.0045249 k( 52) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0045249 k( 53) = ( 0.1728395 0.2993668 -0.0000000), wk = 0.0045249 k( 54) = ( 0.1604938 0.2779835 -0.0000000), wk = 0.0045249 k( 55) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0045249 k( 56) = ( 0.1358025 0.2352168 -0.0000000), wk = 0.0045249 k( 57) = ( 0.1234568 0.2138334 -0.0000000), wk = 0.0045249 k( 58) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0045249 k( 59) = ( 0.0987654 0.1710667 -0.0000000), wk = 0.0045249 k( 60) = ( 0.0864198 0.1496834 -0.0000000), wk = 0.0045249 k( 61) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0045249 k( 62) = ( 0.0617284 0.1069167 -0.0000000), wk = 0.0045249 k( 63) = ( 0.0493827 0.0855334 -0.0000000), wk = 0.0045249 k( 64) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0045249 k( 65) = ( 0.0246914 0.0427667 -0.0000000), wk = 0.0045249 k( 66) = ( 0.0123457 0.0213833 -0.0000000), wk = 0.0045249 k( 67) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 68) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 69) = ( 0.0000000 0.0000000 0.0255878), wk = 0.0045249 k( 70) = ( 0.0000000 0.0000000 0.0511757), wk = 0.0045249 k( 71) = ( 0.0000000 0.0000000 0.0767635), wk = 0.0045249 k( 72) = ( 0.0000000 0.0000000 0.1023513), wk = 0.0045249 k( 73) = ( 0.0000000 0.0000000 0.1279391), wk = 0.0045249 k( 74) = ( 0.0000000 0.0000000 0.1535269), wk = 0.0045249 k( 75) = ( 0.0000000 0.0000000 0.1791148), wk = 0.0045249 k( 76) = ( 0.0000000 0.0000000 0.2047026), wk = 0.0045249 k( 77) = ( 0.0000000 0.0000000 0.2302904), wk = 0.0045249 k( 78) = ( 0.0000000 0.0000000 0.2558782), wk = 0.0045249 k( 79) = ( 0.0000000 0.0000000 0.2814661), wk = 0.0045249 k( 80) = ( 0.0000000 0.0000000 0.3070539), wk = 0.0045249 k( 81) = ( 0.0000000 0.0000000 0.3326417), wk = 0.0045249 k( 82) = ( 0.0000000 0.0000000 0.3582295), wk = 0.0045249 k( 83) = ( 0.0000000 0.0000000 0.3838174), wk = 0.0045249 k( 84) = ( 0.0000000 0.0000000 0.4094052), wk = 0.0045249 k( 85) = ( 0.0000000 0.0000000 0.4349930), wk = 0.0045249 k( 86) = ( 0.0000000 0.0000000 0.4605808), wk = 0.0045249 k( 87) = ( 0.0000000 0.0000000 0.4861687), wk = 0.0045249 k( 88) = ( 0.0000000 0.0000000 0.5117565), wk = 0.0045249 k( 89) = ( 0.0000000 0.0000000 0.5373443), wk = 0.0045249 k( 90) = ( 0.0000000 0.0000000 0.5629321), wk = 0.0045249 k( 91) = ( 0.0000000 0.0000000 0.5885200), wk = 0.0045249 k( 92) = ( 0.0000000 0.0000000 0.6141078), wk = 0.0045249 k( 93) = ( 0.0000000 0.0000000 0.6396956), wk = 0.0045249 k( 94) = ( 0.0000000 0.0000000 0.6652834), wk = 0.0045249 k( 95) = ( 0.0000000 0.0000000 0.6908713), wk = 0.0045249 k( 96) = ( 0.0000000 0.0000000 0.7164591), wk = 0.0045249 k( 97) = ( 0.0000000 0.0000000 0.7164591), wk = 0.0045249 k( 98) = ( 0.0217391 0.0125511 0.7164591), wk = 0.0045249 k( 99) = ( 0.0434783 0.0251022 0.7164591), wk = 0.0045249 k( 100) = ( 0.0652174 0.0376533 0.7164591), wk = 0.0045249 k( 101) = ( 0.0869565 0.0502044 0.7164591), wk = 0.0045249 k( 102) = ( 0.1086957 0.0627555 0.7164591), wk = 0.0045249 k( 103) = ( 0.1304348 0.0753066 0.7164591), wk = 0.0045249 k( 104) = ( 0.1521739 0.0878576 0.7164591), wk = 0.0045249 k( 105) = ( 0.1739130 0.1004087 0.7164591), wk = 0.0045249 k( 106) = ( 0.1956522 0.1129598 0.7164591), wk = 0.0045249 k( 107) = ( 0.2173913 0.1255109 0.7164591), wk = 0.0045249 k( 108) = ( 0.2391304 0.1380620 0.7164591), wk = 0.0045249 k( 109) = ( 0.2608696 0.1506131 0.7164591), wk = 0.0045249 k( 110) = ( 0.2826087 0.1631642 0.7164591), wk = 0.0045249 k( 111) = ( 0.3043478 0.1757153 0.7164591), wk = 0.0045249 k( 112) = ( 0.3260870 0.1882664 0.7164591), wk = 0.0045249 k( 113) = ( 0.3478261 0.2008175 0.7164591), wk = 0.0045249 k( 114) = ( 0.3695652 0.2133686 0.7164591), wk = 0.0045249 k( 115) = ( 0.3913044 0.2259197 0.7164591), wk = 0.0045249 k( 116) = ( 0.4130435 0.2384708 0.7164591), wk = 0.0045249 k( 117) = ( 0.4347826 0.2510219 0.7164591), wk = 0.0045249 k( 118) = ( 0.4565217 0.2635729 0.7164591), wk = 0.0045249 k( 119) = ( 0.4782609 0.2761240 0.7164591), wk = 0.0045249 k( 120) = ( 0.5000000 0.2886751 0.7164591), wk = 0.0045249 k( 121) = ( 0.5000000 0.2886751 0.7164591), wk = 0.0045249 k( 122) = ( 0.4880952 0.3092948 0.7164591), wk = 0.0045249 k( 123) = ( 0.4761905 0.3299144 0.7164591), wk = 0.0045249 k( 124) = ( 0.4642857 0.3505341 0.7164591), wk = 0.0045249 k( 125) = ( 0.4523810 0.3711537 0.7164591), wk = 0.0045249 k( 126) = ( 0.4404762 0.3917734 0.7164591), wk = 0.0045249 k( 127) = ( 0.4285714 0.4123930 0.7164591), wk = 0.0045249 k( 128) = ( 0.4166667 0.4330127 0.7164591), wk = 0.0045249 k( 129) = ( 0.4047619 0.4536324 0.7164591), wk = 0.0045249 k( 130) = ( 0.3928571 0.4742520 0.7164591), wk = 0.0045249 k( 131) = ( 0.3809524 0.4948717 0.7164591), wk = 0.0045249 k( 132) = ( 0.3690476 0.5154913 0.7164591), wk = 0.0045249 k( 133) = ( 0.3571429 0.5361110 0.7164591), wk = 0.0045249 k( 134) = ( 0.3452381 0.5567306 0.7164591), wk = 0.0045249 k( 135) = ( 0.3333333 0.5773503 0.7164591), wk = 0.0045249 k( 136) = ( 0.3333333 0.5773503 0.7164591), wk = 0.0045249 k( 137) = ( 0.3209877 0.5559669 0.7164591), wk = 0.0045249 k( 138) = ( 0.3086420 0.5345836 0.7164591), wk = 0.0045249 k( 139) = ( 0.2962963 0.5132002 0.7164591), wk = 0.0045249 k( 140) = ( 0.2839506 0.4918169 0.7164591), wk = 0.0045249 k( 141) = ( 0.2716049 0.4704336 0.7164591), wk = 0.0045249 k( 142) = ( 0.2592593 0.4490502 0.7164591), wk = 0.0045249 k( 143) = ( 0.2469136 0.4276669 0.7164591), wk = 0.0045249 k( 144) = ( 0.2345679 0.4062835 0.7164591), wk = 0.0045249 k( 145) = ( 0.2222222 0.3849002 0.7164591), wk = 0.0045249 k( 146) = ( 0.2098765 0.3635168 0.7164591), wk = 0.0045249 k( 147) = ( 0.1975309 0.3421335 0.7164591), wk = 0.0045249 k( 148) = ( 0.1851852 0.3207502 0.7164591), wk = 0.0045249 k( 149) = ( 0.1728395 0.2993668 0.7164591), wk = 0.0045249 k( 150) = ( 0.1604938 0.2779835 0.7164591), wk = 0.0045249 k( 151) = ( 0.1481482 0.2566001 0.7164591), wk = 0.0045249 k( 152) = ( 0.1358025 0.2352168 0.7164591), wk = 0.0045249 k( 153) = ( 0.1234568 0.2138334 0.7164591), wk = 0.0045249 k( 154) = ( 0.1111111 0.1924501 0.7164591), wk = 0.0045249 k( 155) = ( 0.0987654 0.1710667 0.7164591), wk = 0.0045249 k( 156) = ( 0.0864198 0.1496834 0.7164591), wk = 0.0045249 k( 157) = ( 0.0740741 0.1283001 0.7164591), wk = 0.0045249 k( 158) = ( 0.0617284 0.1069167 0.7164591), wk = 0.0045249 k( 159) = ( 0.0493827 0.0855334 0.7164591), wk = 0.0045249 k( 160) = ( 0.0370370 0.0641500 0.7164591), wk = 0.0045249 k( 161) = ( 0.0246914 0.0427667 0.7164591), wk = 0.0045249 k( 162) = ( 0.0123457 0.0213833 0.7164591), wk = 0.0045249 k( 163) = ( 0.0000000 0.0000000 0.7164591), wk = 0.0045249 k( 164) = ( 0.5000000 0.2886751 0.7164591), wk = 0.0045249 k( 165) = ( 0.5000000 0.2886751 0.6908713), wk = 0.0045249 k( 166) = ( 0.5000000 0.2886751 0.6652834), wk = 0.0045249 k( 167) = ( 0.5000000 0.2886751 0.6396956), wk = 0.0045249 k( 168) = ( 0.5000000 0.2886751 0.6141078), wk = 0.0045249 k( 169) = ( 0.5000000 0.2886751 0.5885200), wk = 0.0045249 k( 170) = ( 0.5000000 0.2886751 0.5629321), wk = 0.0045249 k( 171) = ( 0.5000000 0.2886751 0.5373443), wk = 0.0045249 k( 172) = ( 0.5000000 0.2886751 0.5117565), wk = 0.0045249 k( 173) = ( 0.5000000 0.2886751 0.4861687), wk = 0.0045249 k( 174) = ( 0.5000000 0.2886751 0.4605808), wk = 0.0045249 k( 175) = ( 0.5000000 0.2886751 0.4349930), wk = 0.0045249 k( 176) = ( 0.5000000 0.2886751 0.4094052), wk = 0.0045249 k( 177) = ( 0.5000000 0.2886751 0.3838174), wk = 0.0045249 k( 178) = ( 0.5000000 0.2886751 0.3582295), wk = 0.0045249 k( 179) = ( 0.5000000 0.2886751 0.3326417), wk = 0.0045249 k( 180) = ( 0.5000000 0.2886751 0.3070539), wk = 0.0045249 k( 181) = ( 0.5000000 0.2886751 0.2814661), wk = 0.0045249 k( 182) = ( 0.5000000 0.2886751 0.2558782), wk = 0.0045249 k( 183) = ( 0.5000000 0.2886751 0.2302904), wk = 0.0045249 k( 184) = ( 0.5000000 0.2886751 0.2047026), wk = 0.0045249 k( 185) = ( 0.5000000 0.2886751 0.1791148), wk = 0.0045249 k( 186) = ( 0.5000000 0.2886751 0.1535269), wk = 0.0045249 k( 187) = ( 0.5000000 0.2886751 0.1279391), wk = 0.0045249 k( 188) = ( 0.5000000 0.2886751 0.1023513), wk = 0.0045249 k( 189) = ( 0.5000000 0.2886751 0.0767635), wk = 0.0045249 k( 190) = ( 0.5000000 0.2886751 0.0511757), wk = 0.0045249 k( 191) = ( 0.5000000 0.2886751 0.0255878), wk = 0.0045249 k( 192) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0045249 k( 193) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0045249 k( 194) = ( 0.3333333 0.5773503 0.0255878), wk = 0.0045249 k( 195) = ( 0.3333333 0.5773503 0.0511757), wk = 0.0045249 k( 196) = ( 0.3333333 0.5773503 0.0767635), wk = 0.0045249 k( 197) = ( 0.3333333 0.5773503 0.1023513), wk = 0.0045249 k( 198) = ( 0.3333333 0.5773503 0.1279391), wk = 0.0045249 k( 199) = ( 0.3333333 0.5773503 0.1535269), wk = 0.0045249 k( 200) = ( 0.3333333 0.5773503 0.1791148), wk = 0.0045249 k( 201) = ( 0.3333333 0.5773503 0.2047026), wk = 0.0045249 k( 202) = ( 0.3333333 0.5773503 0.2302904), wk = 0.0045249 k( 203) = ( 0.3333333 0.5773503 0.2558782), wk = 0.0045249 k( 204) = ( 0.3333333 0.5773503 0.2814661), wk = 0.0045249 k( 205) = ( 0.3333333 0.5773503 0.3070539), wk = 0.0045249 k( 206) = ( 0.3333333 0.5773503 0.3326417), wk = 0.0045249 k( 207) = ( 0.3333333 0.5773503 0.3582295), wk = 0.0045249 k( 208) = ( 0.3333333 0.5773503 0.3838174), wk = 0.0045249 k( 209) = ( 0.3333333 0.5773503 0.4094052), wk = 0.0045249 k( 210) = ( 0.3333333 0.5773503 0.4349930), wk = 0.0045249 k( 211) = ( 0.3333333 0.5773503 0.4605808), wk = 0.0045249 k( 212) = ( 0.3333333 0.5773503 0.4861687), wk = 0.0045249 k( 213) = ( 0.3333333 0.5773503 0.5117565), wk = 0.0045249 k( 214) = ( 0.3333333 0.5773503 0.5373443), wk = 0.0045249 k( 215) = ( 0.3333333 0.5773503 0.5629321), wk = 0.0045249 k( 216) = ( 0.3333333 0.5773503 0.5885200), wk = 0.0045249 k( 217) = ( 0.3333333 0.5773503 0.6141078), wk = 0.0045249 k( 218) = ( 0.3333333 0.5773503 0.6396956), wk = 0.0045249 k( 219) = ( 0.3333333 0.5773503 0.6652834), wk = 0.0045249 k( 220) = ( 0.3333333 0.5773503 0.6908713), wk = 0.0045249 k( 221) = ( 0.3333333 0.5773503 0.7164591), wk = 0.0045249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 2) = ( 0.0217391 0.0000000 0.0000000), wk = 0.0045249 k( 3) = ( 0.0434783 0.0000000 0.0000000), wk = 0.0045249 k( 4) = ( 0.0652174 0.0000000 0.0000000), wk = 0.0045249 k( 5) = ( 0.0869565 0.0000000 0.0000000), wk = 0.0045249 k( 6) = ( 0.1086957 0.0000000 -0.0000000), wk = 0.0045249 k( 7) = ( 0.1304348 0.0000000 0.0000000), wk = 0.0045249 k( 8) = ( 0.1521739 -0.0000000 0.0000000), wk = 0.0045249 k( 9) = ( 0.1739130 0.0000000 0.0000000), wk = 0.0045249 k( 10) = ( 0.1956522 0.0000000 -0.0000000), wk = 0.0045249 k( 11) = ( 0.2173913 0.0000000 -0.0000000), wk = 0.0045249 k( 12) = ( 0.2391304 0.0000000 0.0000000), wk = 0.0045249 k( 13) = ( 0.2608696 -0.0000000 0.0000000), wk = 0.0045249 k( 14) = ( 0.2826087 -0.0000000 0.0000000), wk = 0.0045249 k( 15) = ( 0.3043478 -0.0000000 -0.0000000), wk = 0.0045249 k( 16) = ( 0.3260870 -0.0000000 0.0000000), wk = 0.0045249 k( 17) = ( 0.3478261 0.0000000 -0.0000000), wk = 0.0045249 k( 18) = ( 0.3695652 0.0000000 0.0000000), wk = 0.0045249 k( 19) = ( 0.3913044 0.0000000 0.0000000), wk = 0.0045249 k( 20) = ( 0.4130435 0.0000000 -0.0000000), wk = 0.0045249 k( 21) = ( 0.4347826 -0.0000000 0.0000000), wk = 0.0045249 k( 22) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0045249 k( 23) = ( 0.4782609 0.0000000 0.0000000), wk = 0.0045249 k( 24) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0045249 k( 25) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0045249 k( 26) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0045249 k( 27) = ( 0.4761905 0.0476190 -0.0000000), wk = 0.0045249 k( 28) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0045249 k( 29) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0045249 k( 30) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0045249 k( 31) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0045249 k( 32) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0045249 k( 33) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0045249 k( 34) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0045249 k( 35) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0045249 k( 36) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0045249 k( 37) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0045249 k( 38) = ( 0.3452381 0.3095238 -0.0000000), wk = 0.0045249 k( 39) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0045249 k( 40) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0045249 k( 41) = ( 0.3209877 0.3209876 -0.0000000), wk = 0.0045249 k( 42) = ( 0.3086420 0.3086420 0.0000000), wk = 0.0045249 k( 43) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0045249 k( 44) = ( 0.2839506 0.2839506 -0.0000000), wk = 0.0045249 k( 45) = ( 0.2716049 0.2716049 -0.0000000), wk = 0.0045249 k( 46) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0045249 k( 47) = ( 0.2469136 0.2469136 0.0000000), wk = 0.0045249 k( 48) = ( 0.2345679 0.2345679 -0.0000000), wk = 0.0045249 k( 49) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0045249 k( 50) = ( 0.2098765 0.2098765 -0.0000000), wk = 0.0045249 k( 51) = ( 0.1975309 0.1975309 0.0000000), wk = 0.0045249 k( 52) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0045249 k( 53) = ( 0.1728395 0.1728395 -0.0000000), wk = 0.0045249 k( 54) = ( 0.1604938 0.1604938 -0.0000000), wk = 0.0045249 k( 55) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0045249 k( 56) = ( 0.1358025 0.1358025 -0.0000000), wk = 0.0045249 k( 57) = ( 0.1234568 0.1234568 0.0000000), wk = 0.0045249 k( 58) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0045249 k( 59) = ( 0.0987654 0.0987654 0.0000000), wk = 0.0045249 k( 60) = ( 0.0864198 0.0864198 -0.0000000), wk = 0.0045249 k( 61) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0045249 k( 62) = ( 0.0617284 0.0617284 0.0000000), wk = 0.0045249 k( 63) = ( 0.0493827 0.0493827 0.0000000), wk = 0.0045249 k( 64) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0045249 k( 65) = ( 0.0246914 0.0246914 0.0000000), wk = 0.0045249 k( 66) = ( 0.0123457 0.0123457 0.0000000), wk = 0.0045249 k( 67) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 68) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045249 k( 69) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0045249 k( 70) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0045249 k( 71) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0045249 k( 72) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0045249 k( 73) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0045249 k( 74) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0045249 k( 75) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0045249 k( 76) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0045249 k( 77) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0045249 k( 78) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0045249 k( 79) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0045249 k( 80) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0045249 k( 81) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0045249 k( 82) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0045249 k( 83) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0045249 k( 84) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0045249 k( 85) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0045249 k( 86) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0045249 k( 87) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0045249 k( 88) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0045249 k( 89) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0045249 k( 90) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0045249 k( 91) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0045249 k( 92) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0045249 k( 93) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0045249 k( 94) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0045249 k( 95) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0045249 k( 96) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045249 k( 97) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045249 k( 98) = ( 0.0217391 0.0000000 0.5000000), wk = 0.0045249 k( 99) = ( 0.0434783 0.0000000 0.5000000), wk = 0.0045249 k( 100) = ( 0.0652174 0.0000000 0.5000000), wk = 0.0045249 k( 101) = ( 0.0869565 0.0000000 0.5000000), wk = 0.0045249 k( 102) = ( 0.1086957 0.0000000 0.5000000), wk = 0.0045249 k( 103) = ( 0.1304348 0.0000000 0.5000000), wk = 0.0045249 k( 104) = ( 0.1521739 -0.0000000 0.5000000), wk = 0.0045249 k( 105) = ( 0.1739130 0.0000000 0.5000000), wk = 0.0045249 k( 106) = ( 0.1956522 0.0000000 0.5000000), wk = 0.0045249 k( 107) = ( 0.2173913 0.0000000 0.5000000), wk = 0.0045249 k( 108) = ( 0.2391304 0.0000000 0.5000000), wk = 0.0045249 k( 109) = ( 0.2608696 -0.0000000 0.5000000), wk = 0.0045249 k( 110) = ( 0.2826087 -0.0000000 0.5000000), wk = 0.0045249 k( 111) = ( 0.3043478 -0.0000000 0.5000000), wk = 0.0045249 k( 112) = ( 0.3260870 -0.0000000 0.5000000), wk = 0.0045249 k( 113) = ( 0.3478261 0.0000000 0.5000000), wk = 0.0045249 k( 114) = ( 0.3695652 0.0000000 0.5000000), wk = 0.0045249 k( 115) = ( 0.3913044 0.0000000 0.5000000), wk = 0.0045249 k( 116) = ( 0.4130435 0.0000000 0.5000000), wk = 0.0045249 k( 117) = ( 0.4347826 -0.0000000 0.5000000), wk = 0.0045249 k( 118) = ( 0.4565217 0.0000000 0.5000000), wk = 0.0045249 k( 119) = ( 0.4782609 0.0000000 0.5000000), wk = 0.0045249 k( 120) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045249 k( 121) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045249 k( 122) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0045249 k( 123) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0045249 k( 124) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0045249 k( 125) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0045249 k( 126) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0045249 k( 127) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0045249 k( 128) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0045249 k( 129) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0045249 k( 130) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0045249 k( 131) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0045249 k( 132) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0045249 k( 133) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0045249 k( 134) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0045249 k( 135) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0045249 k( 136) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0045249 k( 137) = ( 0.3209877 0.3209876 0.5000000), wk = 0.0045249 k( 138) = ( 0.3086420 0.3086420 0.5000000), wk = 0.0045249 k( 139) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0045249 k( 140) = ( 0.2839506 0.2839506 0.5000000), wk = 0.0045249 k( 141) = ( 0.2716049 0.2716049 0.5000000), wk = 0.0045249 k( 142) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0045249 k( 143) = ( 0.2469136 0.2469136 0.5000000), wk = 0.0045249 k( 144) = ( 0.2345679 0.2345679 0.5000000), wk = 0.0045249 k( 145) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0045249 k( 146) = ( 0.2098765 0.2098765 0.5000000), wk = 0.0045249 k( 147) = ( 0.1975309 0.1975309 0.5000000), wk = 0.0045249 k( 148) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0045249 k( 149) = ( 0.1728395 0.1728395 0.5000000), wk = 0.0045249 k( 150) = ( 0.1604938 0.1604938 0.5000000), wk = 0.0045249 k( 151) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0045249 k( 152) = ( 0.1358025 0.1358025 0.5000000), wk = 0.0045249 k( 153) = ( 0.1234568 0.1234568 0.5000000), wk = 0.0045249 k( 154) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0045249 k( 155) = ( 0.0987654 0.0987654 0.5000000), wk = 0.0045249 k( 156) = ( 0.0864198 0.0864198 0.5000000), wk = 0.0045249 k( 157) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0045249 k( 158) = ( 0.0617284 0.0617284 0.5000000), wk = 0.0045249 k( 159) = ( 0.0493827 0.0493827 0.5000000), wk = 0.0045249 k( 160) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0045249 k( 161) = ( 0.0246914 0.0246914 0.5000000), wk = 0.0045249 k( 162) = ( 0.0123457 0.0123457 0.5000000), wk = 0.0045249 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045249 k( 164) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045249 k( 165) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0045249 k( 166) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0045249 k( 167) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0045249 k( 168) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0045249 k( 169) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0045249 k( 170) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0045249 k( 171) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0045249 k( 172) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0045249 k( 173) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0045249 k( 174) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0045249 k( 175) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0045249 k( 176) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0045249 k( 177) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0045249 k( 178) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0045249 k( 179) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0045249 k( 180) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0045249 k( 181) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0045249 k( 182) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0045249 k( 183) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0045249 k( 184) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0045249 k( 185) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0045249 k( 186) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0045249 k( 187) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0045249 k( 188) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0045249 k( 189) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0045249 k( 190) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0045249 k( 191) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0045249 k( 192) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0045249 k( 193) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0045249 k( 194) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0045249 k( 195) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0045249 k( 196) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0045249 k( 197) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0045249 k( 198) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0045249 k( 199) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0045249 k( 200) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0045249 k( 201) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0045249 k( 202) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0045249 k( 203) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0045249 k( 204) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0045249 k( 205) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0045249 k( 206) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0045249 k( 207) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0045249 k( 208) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0045249 k( 209) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0045249 k( 210) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0045249 k( 211) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0045249 k( 212) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0045249 k( 213) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0045249 k( 214) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0045249 k( 215) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0045249 k( 216) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0045249 k( 217) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0045249 k( 218) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0045249 k( 219) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0045249 k( 220) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0045249 k( 221) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0045249 Dense grid: 101795 G-vectors FFT dimensions: ( 72, 72, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.43 Mb ( 368, 76) NL pseudopotentials 1.02 Mb ( 184, 364) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1417) G-vector shells 0.01 Mb ( 677) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.71 Mb ( 368, 304) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.84 Mb ( 364, 2, 76) The potential is recalculated from file : ./Zr5Si3.save/charge-density.dat Starting wfc are 228 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.0 secs Computing kpt #: 2 total cpu time spent up to now is 12.4 secs Computing kpt #: 3 total cpu time spent up to now is 17.4 secs Computing kpt #: 4 total cpu time spent up to now is 22.2 secs Computing kpt #: 5 total cpu time spent up to now is 27.2 secs Computing kpt #: 6 total cpu time spent up to now is 32.6 secs Computing kpt #: 7 total cpu time spent up to now is 38.4 secs Computing kpt #: 8 total cpu time spent up to now is 44.0 secs Computing kpt #: 9 total cpu time spent up to now is 50.0 secs Computing kpt #: 10 total cpu time spent up to now is 56.6 secs Computing kpt #: 11 total cpu time spent up to now is 63.7 secs Computing kpt #: 12 total cpu time spent up to now is 70.3 secs Computing kpt #: 13 total cpu time spent up to now is 76.5 secs Computing kpt #: 14 total cpu time spent up to now is 82.8 secs Computing kpt #: 15 total cpu time spent up to now is 88.8 secs Computing kpt #: 16 total cpu time spent up to now is 94.3 secs Computing kpt #: 17 total cpu time spent up to now is 99.8 secs Computing kpt #: 18 total cpu time spent up to now is 105.6 secs Computing kpt #: 19 total cpu time spent up to now is 111.3 secs Computing kpt #: 20 total cpu time spent up to now is 116.8 secs Computing kpt #: 21 total cpu time spent up to now is 121.9 secs Computing kpt #: 22 total cpu time spent up to now is 127.7 secs Computing kpt #: 23 total cpu time spent up to now is 133.4 secs Computing kpt #: 24 total cpu time spent up to now is 138.9 secs Computing kpt #: 25 total cpu time spent up to now is 144.3 secs Computing kpt #: 26 total cpu time spent up to now is 149.8 secs Computing kpt #: 27 total cpu time spent up to now is 155.3 secs Computing kpt #: 28 total cpu time spent up to now is 161.0 secs Computing kpt #: 29 total cpu time spent up to now is 166.3 secs Computing kpt #: 30 total cpu time spent up to now is 171.9 secs Computing kpt #: 31 total cpu time spent up to now is 177.5 secs Computing kpt #: 32 total cpu time spent up to now is 183.0 secs Computing kpt #: 33 total cpu time spent up to now is 189.2 secs Computing kpt #: 34 total cpu time spent up to now is 194.6 secs Computing kpt #: 35 total cpu time spent up to now is 200.1 secs Computing kpt #: 36 total cpu time spent up to now is 205.6 secs Computing kpt #: 37 total cpu time spent up to now is 211.2 secs Computing kpt #: 38 total cpu time spent up to now is 217.5 secs Computing kpt #: 39 total cpu time spent up to now is 224.4 secs Computing kpt #: 40 total cpu time spent up to now is 230.7 secs Computing kpt #: 41 total cpu time spent up to now is 237.0 secs Computing kpt #: 42 total cpu time spent up to now is 243.3 secs Computing kpt #: 43 total cpu time spent up to now is 249.2 secs Computing kpt #: 44 total cpu time spent up to now is 254.7 secs Computing kpt #: 45 total cpu time spent up to now is 260.1 secs Computing kpt #: 46 total cpu time spent up to now is 265.6 secs Computing kpt #: 47 total cpu time spent up to now is 271.2 secs Computing kpt #: 48 total cpu time spent up to now is 276.8 secs Computing kpt #: 49 total cpu time spent up to now is 282.1 secs Computing kpt #: 50 total cpu time spent up to now is 287.5 secs Computing kpt #: 51 total cpu time spent up to now is 293.3 secs Computing kpt #: 52 total cpu time spent up to now is 299.0 secs Computing kpt #: 53 total cpu time spent up to now is 304.9 secs Computing kpt #: 54 total cpu time spent up to now is 311.0 secs Computing kpt #: 55 total cpu time spent up to now is 317.1 secs Computing kpt #: 56 total cpu time spent up to now is 324.1 secs Computing kpt #: 57 total cpu time spent up to now is 330.9 secs Computing kpt #: 58 total cpu time spent up to now is 337.6 secs Computing kpt #: 59 total cpu time spent up to now is 343.8 secs Computing kpt #: 60 total cpu time spent up to now is 349.5 secs Computing kpt #: 61 total cpu time spent up to now is 354.8 secs Computing kpt #: 62 total cpu time spent up to now is 360.0 secs Computing kpt #: 63 total cpu time spent up to now is 365.0 secs Computing kpt #: 64 total cpu time spent up to now is 370.3 secs Computing kpt #: 65 total cpu time spent up to now is 375.8 secs Computing kpt #: 66 total cpu time spent up to now is 381.1 secs Computing kpt #: 67 total cpu time spent up to now is 386.1 secs Computing kpt #: 68 total cpu time spent up to now is 390.8 secs Computing kpt #: 69 total cpu time spent up to now is 395.9 secs Computing kpt #: 70 total cpu time spent up to now is 401.3 secs Computing kpt #: 71 total cpu time spent up to now is 406.4 secs Computing kpt #: 72 total cpu time spent up to now is 411.4 secs Computing kpt #: 73 total cpu time spent up to now is 416.3 secs Computing kpt #: 74 total cpu time spent up to now is 421.6 secs Computing kpt #: 75 total cpu time spent up to now is 426.6 secs Computing kpt #: 76 total cpu time spent up to now is 431.8 secs Computing kpt #: 77 total cpu time spent up to now is 436.5 secs Computing kpt #: 78 total cpu time spent up to now is 441.3 secs Computing kpt #: 79 total cpu time spent up to now is 446.3 secs Computing kpt #: 80 total cpu time spent up to now is 451.5 secs Computing kpt #: 81 total cpu time spent up to now is 456.2 secs Computing kpt #: 82 total cpu time spent up to now is 460.6 secs Computing kpt #: 83 total cpu time spent up to now is 465.5 secs Computing kpt #: 84 total cpu time spent up to now is 470.5 secs Computing kpt #: 85 total cpu time spent up to now is 475.6 secs Computing kpt #: 86 total cpu time spent up to now is 480.5 secs Computing kpt #: 87 total cpu time spent up to now is 484.8 secs Computing kpt #: 88 total cpu time spent up to now is 489.5 secs Computing kpt #: 89 total cpu time spent up to now is 494.3 secs Computing kpt #: 90 total cpu time spent up to now is 500.4 secs Computing kpt #: 91 total cpu time spent up to now is 505.1 secs Computing kpt #: 92 total cpu time spent up to now is 509.6 secs Computing kpt #: 93 total cpu time spent up to now is 514.0 secs Computing kpt #: 94 total cpu time spent up to now is 518.9 secs Computing kpt #: 95 total cpu time spent up to now is 523.6 secs Computing kpt #: 96 total cpu time spent up to now is 528.4 secs Computing kpt #: 97 total cpu time spent up to now is 532.9 secs Computing kpt #: 98 total cpu time spent up to now is 537.2 secs Computing kpt #: 99 total cpu time spent up to now is 541.9 secs Computing kpt #: 100 total cpu time spent up to now is 546.7 secs Computing kpt #: 101 total cpu time spent up to now is 551.5 secs Computing kpt #: 102 total cpu time spent up to now is 556.4 secs Computing kpt #: 103 total cpu time spent up to now is 561.0 secs Computing kpt #: 104 total cpu time spent up to now is 566.0 secs Computing kpt #: 105 total cpu time spent up to now is 571.3 secs Computing kpt #: 106 total cpu time spent up to now is 576.6 secs Computing kpt #: 107 total cpu time spent up to now is 581.8 secs Computing kpt #: 108 total cpu time spent up to now is 586.8 secs Computing kpt #: 109 total cpu time spent up to now is 592.4 secs Computing kpt #: 110 total cpu time spent up to now is 598.1 secs Computing kpt #: 111 total cpu time spent up to now is 605.1 secs Computing kpt #: 112 total cpu time spent up to now is 611.1 secs Computing kpt #: 113 total cpu time spent up to now is 616.8 secs Computing kpt #: 114 total cpu time spent up to now is 622.7 secs Computing kpt #: 115 total cpu time spent up to now is 629.0 secs Computing kpt #: 116 total cpu time spent up to now is 635.1 secs Computing kpt #: 117 total cpu time spent up to now is 641.5 secs Computing kpt #: 118 total cpu time spent up to now is 648.0 secs Computing kpt #: 119 total cpu time spent up to now is 654.1 secs Computing kpt #: 120 total cpu time spent up to now is 660.0 secs Computing kpt #: 121 total cpu time spent up to now is 665.7 secs Computing kpt #: 122 total cpu time spent up to now is 671.7 secs Computing kpt #: 123 total cpu time spent up to now is 678.1 secs Computing kpt #: 124 total cpu time spent up to now is 684.0 secs Computing kpt #: 125 total cpu time spent up to now is 689.7 secs Computing kpt #: 126 total cpu time spent up to now is 695.7 secs Computing kpt #: 127 total cpu time spent up to now is 701.7 secs Computing kpt #: 128 total cpu time spent up to now is 707.7 secs Computing kpt #: 129 total cpu time spent up to now is 713.6 secs Computing kpt #: 130 total cpu time spent up to now is 719.6 secs Computing kpt #: 131 total cpu time spent up to now is 725.6 secs Computing kpt #: 132 total cpu time spent up to now is 731.6 secs Computing kpt #: 133 total cpu time spent up to now is 737.8 secs Computing kpt #: 134 total cpu time spent up to now is 743.8 secs Computing kpt #: 135 total cpu time spent up to now is 750.1 secs Computing kpt #: 136 total cpu time spent up to now is 755.9 secs Computing kpt #: 137 total cpu time spent up to now is 761.5 secs Computing kpt #: 138 total cpu time spent up to now is 767.4 secs Computing kpt #: 139 total cpu time spent up to now is 773.7 secs Computing kpt #: 140 total cpu time spent up to now is 779.8 secs Computing kpt #: 141 total cpu time spent up to now is 785.8 secs Computing kpt #: 142 total cpu time spent up to now is 791.9 secs Computing kpt #: 143 total cpu time spent up to now is 797.8 secs Computing kpt #: 144 total cpu time spent up to now is 803.5 secs Computing kpt #: 145 total cpu time spent up to now is 809.5 secs Computing kpt #: 146 total cpu time spent up to now is 816.6 secs Computing kpt #: 147 total cpu time spent up to now is 824.2 secs Computing kpt #: 148 total cpu time spent up to now is 832.1 secs Computing kpt #: 149 total cpu time spent up to now is 840.3 secs Computing kpt #: 150 total cpu time spent up to now is 848.7 secs Computing kpt #: 151 total cpu time spent up to now is 857.0 secs Computing kpt #: 152 total cpu time spent up to now is 864.9 secs Computing kpt #: 153 total cpu time spent up to now is 872.2 secs Computing kpt #: 154 total cpu time spent up to now is 879.4 secs Computing kpt #: 155 total cpu time spent up to now is 886.7 secs Computing kpt #: 156 total cpu time spent up to now is 893.4 secs Computing kpt #: 157 total cpu time spent up to now is 899.9 secs Computing kpt #: 158 total cpu time spent up to now is 906.2 secs Computing kpt #: 159 total cpu time spent up to now is 912.0 secs Computing kpt #: 160 total cpu time spent up to now is 917.4 secs Computing kpt #: 161 total cpu time spent up to now is 922.6 secs Computing kpt #: 162 total cpu time spent up to now is 926.9 secs Computing kpt #: 163 total cpu time spent up to now is 932.5 secs Computing kpt #: 164 total cpu time spent up to now is 940.5 secs Computing kpt #: 165 total cpu time spent up to now is 947.9 secs Computing kpt #: 166 total cpu time spent up to now is 954.7 secs Computing kpt #: 167 total cpu time spent up to now is 962.8 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 972.0 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 981.2 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 990.2 secs Computing kpt #: 171 total cpu time spent up to now is 996.1 secs Computing kpt #: 172 total cpu time spent up to now is 1001.6 secs Computing kpt #: 173 total cpu time spent up to now is 1006.8 secs Computing kpt #: 174 total cpu time spent up to now is 1012.0 secs Computing kpt #: 175 total cpu time spent up to now is 1017.0 secs Computing kpt #: 176 total cpu time spent up to now is 1021.7 secs Computing kpt #: 177 total cpu time spent up to now is 1026.4 secs Computing kpt #: 178 total cpu time spent up to now is 1031.0 secs Computing kpt #: 179 total cpu time spent up to now is 1035.8 secs Computing kpt #: 180 total cpu time spent up to now is 1040.5 secs Computing kpt #: 181 total cpu time spent up to now is 1045.2 secs Computing kpt #: 182 total cpu time spent up to now is 1049.8 secs Computing kpt #: 183 total cpu time spent up to now is 1054.6 secs Computing kpt #: 184 total cpu time spent up to now is 1059.4 secs Computing kpt #: 185 total cpu time spent up to now is 1063.9 secs Computing kpt #: 186 total cpu time spent up to now is 1068.3 secs Computing kpt #: 187 total cpu time spent up to now is 1072.7 secs Computing kpt #: 188 total cpu time spent up to now is 1077.3 secs Computing kpt #: 189 total cpu time spent up to now is 1082.1 secs Computing kpt #: 190 total cpu time spent up to now is 1086.7 secs Computing kpt #: 191 total cpu time spent up to now is 1091.2 secs Computing kpt #: 192 total cpu time spent up to now is 1095.7 secs Computing kpt #: 193 total cpu time spent up to now is 1101.8 secs Computing kpt #: 194 total cpu time spent up to now is 1107.7 secs Computing kpt #: 195 total cpu time spent up to now is 1113.3 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1122.0 secs Computing kpt #: 197 total cpu time spent up to now is 1127.8 secs Computing kpt #: 198 total cpu time spent up to now is 1133.8 secs Computing kpt #: 199 total cpu time spent up to now is 1139.3 secs Computing kpt #: 200 total cpu time spent up to now is 1145.8 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1154.7 secs Computing kpt #: 202 total cpu time spent up to now is 1160.6 secs Computing kpt #: 203 total cpu time spent up to now is 1166.6 secs Computing kpt #: 204 total cpu time spent up to now is 1172.3 secs Computing kpt #: 205 total cpu time spent up to now is 1178.1 secs Computing kpt #: 206 total cpu time spent up to now is 1182.9 secs Computing kpt #: 207 total cpu time spent up to now is 1188.2 secs Computing kpt #: 208 total cpu time spent up to now is 1193.5 secs Computing kpt #: 209 total cpu time spent up to now is 1198.7 secs Computing kpt #: 210 total cpu time spent up to now is 1203.3 secs Computing kpt #: 211 total cpu time spent up to now is 1208.6 secs Computing kpt #: 212 total cpu time spent up to now is 1213.8 secs Computing kpt #: 213 total cpu time spent up to now is 1218.6 secs Computing kpt #: 214 total cpu time spent up to now is 1223.3 secs Computing kpt #: 215 total cpu time spent up to now is 1228.4 secs Computing kpt #: 216 total cpu time spent up to now is 1233.5 secs Computing kpt #: 217 total cpu time spent up to now is 1238.6 secs Computing kpt #: 218 total cpu time spent up to now is 1243.4 secs Computing kpt #: 219 total cpu time spent up to now is 1248.7 secs Computing kpt #: 220 total cpu time spent up to now is 1253.9 secs Computing kpt #: 221 total cpu time spent up to now is 1259.6 secs ethr = 1.56E-08, avg # of iterations = 38.4 total cpu time spent up to now is 1259.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12671 PWs) bands (ev): -0.7680 -0.7680 0.7599 0.7599 0.7669 0.7669 1.5772 1.5772 1.5794 1.5794 1.8919 1.8919 4.1401 4.1401 4.6613 4.6613 5.0526 5.0526 5.0720 5.0720 5.3882 5.3882 5.4494 5.4494 5.4759 5.4759 5.8085 5.8085 5.8380 5.8380 6.2705 6.2705 6.2761 6.2761 7.0246 7.0246 7.2113 7.2113 7.2182 7.2182 7.2208 7.2208 7.2524 7.2524 7.3480 7.3480 7.3568 7.3568 7.4323 7.4323 7.4706 7.4706 7.4908 7.4908 7.6860 7.6860 8.0029 8.0029 8.0355 8.0355 8.0446 8.0446 8.2097 8.2097 9.1172 9.1172 9.1375 9.1375 9.1715 9.1715 9.3110 9.3110 9.3603 9.3603 9.4056 9.4056 k = 0.0217 0.0126-0.0000 ( 12669 PWs) bands (ev): -0.7665 -0.7665 0.7585 0.7585 0.7655 0.7655 1.5765 1.5765 1.5793 1.5793 1.8924 1.8924 4.1410 4.1410 4.6619 4.6619 5.0503 5.0503 5.0704 5.0704 5.3933 5.3933 5.4519 5.4519 5.4785 5.4785 5.8069 5.8069 5.8366 5.8366 6.2705 6.2705 6.2763 6.2763 7.0251 7.0251 7.2083 7.2083 7.2119 7.2119 7.2214 7.2214 7.2443 7.2443 7.3523 7.3523 7.3547 7.3547 7.4358 7.4358 7.4727 7.4727 7.5028 7.5028 7.6859 7.6859 7.9987 7.9987 8.0334 8.0334 8.0436 8.0436 8.2092 8.2092 9.1171 9.1171 9.1379 9.1379 9.1726 9.1726 9.3110 9.3110 9.3603 9.3603 9.4106 9.4106 k = 0.0435 0.0251-0.0000 ( 12665 PWs) bands (ev): -0.7622 -0.7622 0.7537 0.7537 0.7618 0.7618 1.5730 1.5730 1.5806 1.5806 1.8942 1.8942 4.1437 4.1437 4.6634 4.6634 5.0402 5.0402 5.0695 5.0695 5.4074 5.4074 5.4593 5.4593 5.4863 5.4863 5.8008 5.8008 5.8335 5.8335 6.2692 6.2692 6.2785 6.2785 7.0268 7.0268 7.1734 7.1734 7.2135 7.2135 7.2234 7.2234 7.2329 7.2329 7.3497 7.3497 7.3653 7.3653 7.4431 7.4431 7.4781 7.4781 7.5341 7.5341 7.6854 7.6854 7.9863 7.9863 8.0240 8.0240 8.0439 8.0439 8.2077 8.2077 9.1153 9.1153 9.1408 9.1408 9.1761 9.1761 9.3107 9.3107 9.3606 9.3606 9.4253 9.4253 k = 0.0652 0.0377-0.0000 ( 12661 PWs) bands (ev): -0.7551 -0.7551 0.7450 0.7450 0.7565 0.7565 1.5669 1.5669 1.5832 1.5832 1.8972 1.8972 4.1481 4.1481 4.6661 4.6661 5.0216 5.0216 5.0724 5.0724 5.4275 5.4275 5.4710 5.4710 5.5005 5.5005 5.7880 5.7880 5.8315 5.8315 6.2657 6.2657 6.2836 6.2836 7.0293 7.0293 7.1208 7.1208 7.2155 7.2155 7.2214 7.2214 7.2280 7.2280 7.3437 7.3437 7.3862 7.3862 7.4512 7.4512 7.4872 7.4872 7.5747 7.5747 7.6847 7.6847 7.9658 7.9658 8.0067 8.0067 8.0469 8.0469 8.2052 8.2052 9.1093 9.1093 9.1482 9.1482 9.1817 9.1817 9.3095 9.3095 9.3614 9.3614 9.4495 9.4495 k = 0.0870 0.0502-0.0000 ( 12657 PWs) bands (ev): -0.7451 -0.7451 0.7321 0.7321 0.7500 0.7500 1.5584 1.5584 1.5865 1.5865 1.9014 1.9014 4.1543 4.1543 4.6698 4.6698 4.9980 4.9980 5.0780 5.0780 5.4497 5.4497 5.4863 5.4863 5.5226 5.5226 5.7681 5.7681 5.8315 5.8315 6.2609 6.2609 6.2909 6.2909 7.0300 7.0300 7.0622 7.0622 7.2081 7.2081 7.2177 7.2177 7.2339 7.2339 7.3381 7.3381 7.4145 7.4145 7.4586 7.4586 7.5007 7.5007 7.6182 7.6182 7.6837 7.6837 7.9376 7.9376 7.9831 7.9831 8.0517 8.0517 8.2018 8.2018 9.0988 9.0988 9.1600 9.1600 9.1891 9.1891 9.3067 9.3067 9.3634 9.3634 9.4821 9.4821 k = 0.1087 0.0628-0.0000 ( 12661 PWs) bands (ev): -0.7323 -0.7323 0.7153 0.7153 0.7423 0.7423 1.5479 1.5479 1.5904 1.5904 1.9070 1.9070 4.1624 4.1624 4.6745 4.6745 4.9722 4.9722 5.0852 5.0852 5.4710 5.4710 5.5045 5.5045 5.5536 5.5536 5.7424 5.7424 5.8331 5.8331 6.2555 6.2555 6.2999 6.2999 6.9873 6.9873 7.0435 7.0435 7.1914 7.1914 7.2200 7.2200 7.2422 7.2422 7.3331 7.3331 7.4490 7.4490 7.4655 7.4655 7.5181 7.5181 7.6615 7.6615 7.6826 7.6826 7.9023 7.9023 7.9545 7.9545 8.0583 8.0583 8.1974 8.1974 9.0839 9.0839 9.1754 9.1754 9.1980 9.1980 9.3019 9.3019 9.3670 9.3670 9.5221 9.5221 k = 0.1304 0.0753-0.0000 ( 12679 PWs) bands (ev): -0.7168 -0.7168 0.6947 0.6947 0.7336 0.7336 1.5356 1.5356 1.5945 1.5945 1.9139 1.9139 4.1723 4.1723 4.6803 4.6803 4.9461 4.9461 5.0936 5.0936 5.4903 5.4903 5.5251 5.5251 5.5929 5.5929 5.7122 5.7122 5.8357 5.8357 6.2502 6.2502 6.3099 6.3099 6.9191 6.9191 7.0491 7.0491 7.1713 7.1713 7.2225 7.2225 7.2524 7.2524 7.3284 7.3284 7.4723 7.4723 7.4887 7.4887 7.5390 7.5390 7.6809 7.6809 7.7035 7.7035 7.8604 7.8604 7.9222 7.9222 8.0666 8.0666 8.1921 8.1921 9.0650 9.0650 9.1935 9.1935 9.2081 9.2081 9.2948 9.2948 9.3725 9.3725 9.5681 9.5681 k = 0.1522 0.0879-0.0000 ( 12673 PWs) bands (ev): -0.6985 -0.6985 0.6706 0.6706 0.7240 0.7240 1.5218 1.5218 1.5987 1.5987 1.9221 1.9221 4.1837 4.1837 4.6872 4.6872 4.9213 4.9213 5.1026 5.1026 5.5077 5.5077 5.5484 5.5484 5.6382 5.6382 5.6787 5.6787 5.8390 5.8390 6.2457 6.2457 6.3202 6.3202 6.8486 6.8486 7.0572 7.0572 7.1485 7.1485 7.2252 7.2252 7.2642 7.2642 7.3233 7.3233 7.4795 7.4795 7.5321 7.5321 7.5628 7.5628 7.6793 7.6793 7.7430 7.7430 7.8130 7.8130 7.8871 7.8871 8.0770 8.0770 8.1860 8.1860 9.0419 9.0419 9.2124 9.2124 9.2198 9.2198 9.2859 9.2859 9.3796 9.3796 9.6188 9.6188 k = 0.1739 0.1004-0.0000 ( 12698 PWs) bands (ev): -0.6776 -0.6776 0.6430 0.6430 0.7138 0.7138 1.5070 1.5070 1.6026 1.6026 1.9317 1.9317 4.1963 4.1963 4.6951 4.6951 4.8991 4.8991 5.1118 5.1118 5.5230 5.5230 5.5746 5.5746 5.6420 5.6420 5.6885 5.6885 5.8430 5.8430 6.2426 6.2426 6.3295 6.3295 6.7784 6.7784 7.0670 7.0670 7.1235 7.1235 7.2282 7.2282 7.2775 7.2775 7.3174 7.3174 7.4872 7.4872 7.5777 7.5777 7.5893 7.5893 7.6777 7.6777 7.7578 7.7578 7.7827 7.7827 7.8504 7.8504 8.0896 8.0896 8.1790 8.1790 9.0146 9.0146 9.2246 9.2246 9.2383 9.2383 9.2767 9.2767 9.3883 9.3883 9.6727 9.6727 k = 0.1957 0.1130-0.0000 ( 12702 PWs) bands (ev): -0.6541 -0.6541 0.6122 0.6122 0.7030 0.7030 1.4915 1.4915 1.6061 1.6061 1.9425 1.9425 4.2098 4.2098 4.7041 4.7041 4.8805 4.8805 5.1207 5.1207 5.5358 5.5358 5.6021 5.6021 5.6066 5.6066 5.7406 5.7406 5.8476 5.8476 6.2418 6.2418 6.3361 6.3361 6.7109 6.7109 7.0783 7.0783 7.0967 7.0967 7.2315 7.2315 7.2916 7.2916 7.3102 7.3102 7.4954 7.4954 7.6171 7.6171 7.6243 7.6243 7.6764 7.6764 7.7034 7.7034 7.8073 7.8073 7.8213 7.8213 8.1049 8.1049 8.1712 8.1712 8.9831 8.9831 9.2290 9.2290 9.2580 9.2580 9.2730 9.2730 9.3982 9.3982 9.7265 9.7265 k = 0.2174 0.1255-0.0000 ( 12708 PWs) bands (ev): -0.6282 -0.6282 0.5784 0.5784 0.6921 0.6921 1.4755 1.4755 1.6090 1.6090 1.9543 1.9543 4.2234 4.2234 4.7141 4.7141 4.8666 4.8666 5.1287 5.1287 5.5440 5.5440 5.5684 5.5684 5.6367 5.6367 5.7931 5.7931 5.8528 5.8528 6.2439 6.2439 6.3374 6.3374 6.6494 6.6494 7.0681 7.0681 7.0912 7.0912 7.2351 7.2351 7.2980 7.2980 7.3097 7.3097 7.5038 7.5038 7.6315 7.6315 7.6548 7.6548 7.6674 7.6674 7.6838 7.6838 7.7731 7.7731 7.8497 7.8497 8.1234 8.1234 8.1629 8.1629 8.9475 8.9475 9.2223 9.2223 9.2676 9.2676 9.2887 9.2887 9.4091 9.4091 9.7420 9.7420 k = 0.2391 0.1381-0.0000 ( 12702 PWs) bands (ev): -0.5998 -0.5998 0.5417 0.5417 0.6812 0.6812 1.4595 1.4595 1.6114 1.6114 1.9670 1.9670 4.2366 4.2366 4.7251 4.7251 4.8586 4.8586 5.1355 5.1355 5.5216 5.5216 5.5604 5.5604 5.6725 5.6725 5.8412 5.8412 5.8612 5.8612 6.2494 6.2494 6.3300 6.3300 6.5985 6.5985 7.0381 7.0381 7.1055 7.1055 7.2389 7.2389 7.2868 7.2868 7.3251 7.3251 7.5123 7.5123 7.5760 7.5760 7.6680 7.6680 7.6862 7.6862 7.7206 7.7206 7.7368 7.7368 7.8792 7.8792 8.1455 8.1455 8.1543 8.1543 8.9083 8.9083 9.2066 9.2066 9.2771 9.2771 9.3108 9.3108 9.4208 9.4208 9.7201 9.7201 k = 0.2609 0.1506-0.0000 ( 12680 PWs) bands (ev): -0.5692 -0.5692 0.5025 0.5025 0.6704 0.6704 1.4438 1.4438 1.6132 1.6132 1.9803 1.9803 4.2484 4.2484 4.7371 4.7371 4.8574 4.8574 5.1407 5.1407 5.4832 5.4832 5.5666 5.5666 5.7114 5.7114 5.8595 5.8595 5.8946 5.8946 6.2588 6.2588 6.3116 6.3116 6.5628 6.5628 7.0065 7.0065 7.1211 7.1211 7.2430 7.2430 7.2716 7.2716 7.3419 7.3419 7.5108 7.5108 7.5239 7.5239 7.6668 7.6668 7.6977 7.6977 7.7212 7.7212 7.7642 7.7642 7.9062 7.9062 8.1452 8.1452 8.1721 8.1721 8.8657 8.8657 9.1862 9.1862 9.2888 9.2888 9.3322 9.3322 9.4330 9.4330 9.6981 9.6981 k = 0.2826 0.1632-0.0000 ( 12690 PWs) bands (ev): -0.5364 -0.5364 0.4611 0.4611 0.6600 0.6600 1.4286 1.4286 1.6144 1.6144 1.9938 1.9938 4.2583 4.2583 4.7500 4.7500 4.8637 4.8637 5.1441 5.1441 5.4442 5.4442 5.5721 5.5721 5.7535 5.7535 5.8658 5.8658 5.9296 5.9296 6.2723 6.2723 6.2865 6.2865 6.5428 6.5428 6.9733 6.9733 7.1380 7.1380 7.2455 7.2455 7.2534 7.2534 7.3590 7.3590 7.4526 7.4526 7.5295 7.5295 7.6620 7.6620 7.6651 7.6651 7.7584 7.7584 7.8020 7.8020 7.9307 7.9307 8.1365 8.1365 8.2033 8.2033 8.8204 8.8204 9.1629 9.1629 9.3016 9.3016 9.3517 9.3517 9.4456 9.4456 9.6776 9.6776 k = 0.3043 0.1757-0.0000 ( 12694 PWs) bands (ev): -0.5017 -0.5017 0.4179 0.4179 0.6502 0.6502 1.4142 1.4142 1.6151 1.6151 2.0074 2.0074 4.2659 4.2659 4.7637 4.7637 4.8778 4.8778 5.1457 5.1457 5.4058 5.4058 5.5762 5.5762 5.7983 5.7983 5.8712 5.8712 5.9460 5.9460 6.2667 6.2667 6.2900 6.2900 6.5344 6.5344 6.9382 6.9382 7.1560 7.1560 7.2236 7.2236 7.2532 7.2532 7.3759 7.3759 7.3977 7.3977 7.5362 7.5362 7.6282 7.6282 7.6628 7.6628 7.7971 7.7971 7.8351 7.8351 7.9524 7.9524 8.1281 8.1281 8.2390 8.2390 8.7730 8.7730 9.1371 9.1371 9.3151 9.3151 9.3686 9.3686 9.4582 9.4582 9.6586 9.6586 k = 0.3261 0.1883-0.0000 ( 12706 PWs) bands (ev): -0.4654 -0.4654 0.3732 0.3732 0.6410 0.6410 1.4008 1.4008 1.6155 1.6155 2.0205 2.0205 4.2709 4.2709 4.7780 4.7780 4.8998 4.8998 5.1456 5.1456 5.3686 5.3686 5.5790 5.5790 5.8456 5.8456 5.8763 5.8763 5.9353 5.9353 6.2647 6.2647 6.3116 6.3116 6.5326 6.5326 6.9010 6.9010 7.1747 7.1747 7.1879 7.1879 7.2579 7.2579 7.3516 7.3516 7.3928 7.3928 7.5414 7.5414 7.5963 7.5963 7.6607 7.6607 7.8369 7.8369 7.8631 7.8631 7.9713 7.9713 8.1207 8.1207 8.2789 8.2789 8.7243 8.7243 9.1094 9.1094 9.3293 9.3293 9.3826 9.3826 9.4705 9.4705 9.6408 9.6408 k = 0.3478 0.2008-0.0000 ( 12720 PWs) bands (ev): -0.4277 -0.4277 0.3276 0.3276 0.6326 0.6326 1.3887 1.3887 1.6155 1.6155 2.0331 2.0331 4.2737 4.2737 4.7929 4.7929 4.9293 4.9293 5.1442 5.1442 5.3331 5.3331 5.5804 5.5804 5.8799 5.8799 5.8918 5.8918 5.9035 5.9035 6.2818 6.2818 6.3369 6.3369 6.5338 6.5338 6.8615 6.8615 7.1421 7.1421 7.1945 7.1945 7.2631 7.2631 7.3171 7.3171 7.4087 7.4087 7.5442 7.5442 7.5670 7.5670 7.6588 7.6588 7.8771 7.8771 7.8866 7.8866 7.9873 7.9873 8.1145 8.1145 8.3220 8.3220 8.6751 8.6751 9.0802 9.0802 9.3438 9.3438 9.3940 9.3940 9.4823 9.4823 9.6237 9.6237 k = 0.3696 0.2134-0.0000 ( 12714 PWs) bands (ev): -0.3890 -0.3890 0.2817 0.2817 0.6252 0.6252 1.3778 1.3778 1.6153 1.6153 2.0446 2.0446 4.2746 4.2746 4.8079 4.8079 4.9652 4.9652 5.1417 5.1417 5.2998 5.2998 5.5803 5.5803 5.8453 5.8453 5.8856 5.8856 5.9478 5.9478 6.3101 6.3101 6.3651 6.3651 6.5361 6.5361 6.8195 6.8195 7.0905 7.0905 7.2141 7.2141 7.2686 7.2686 7.2921 7.2921 7.4234 7.4234 7.5372 7.5372 7.5479 7.5479 7.6570 7.6570 7.9035 7.9035 7.9194 7.9194 8.0003 8.0003 8.1100 8.1100 8.3667 8.3667 8.6262 8.6262 9.0498 9.0498 9.3582 9.3582 9.4032 9.4032 9.4933 9.4933 9.6070 9.6070 k = 0.3913 0.2259-0.0000 ( 12716 PWs) bands (ev): -0.3499 -0.3499 0.2362 0.2362 0.6187 0.6187 1.3685 1.3685 1.6149 1.6149 2.0549 2.0549 4.2742 4.2742 4.8228 4.8228 5.0064 5.0064 5.1386 5.1386 5.2693 5.2693 5.5781 5.5781 5.7870 5.7870 5.8893 5.8893 5.9994 5.9994 6.3419 6.3419 6.3957 6.3957 6.5382 6.5382 6.7751 6.7751 7.0377 7.0377 7.2331 7.2331 7.2719 7.2719 7.2765 7.2765 7.4366 7.4366 7.5145 7.5145 7.5451 7.5451 7.6554 7.6554 7.9182 7.9182 7.9597 7.9597 8.0103 8.0103 8.1072 8.1072 8.4115 8.4115 8.5784 8.5784 9.0189 9.0189 9.3714 9.3714 9.4117 9.4117 9.5029 9.5029 9.5907 9.5907 k = 0.4130 0.2385-0.0000 ( 12720 PWs) bands (ev): -0.3115 -0.3115 0.1923 0.1923 0.6133 0.6133 1.3608 1.3608 1.6146 1.6146 2.0637 2.0637 4.2729 4.2729 4.8369 4.8369 5.0512 5.0512 5.1354 5.1354 5.2422 5.2422 5.5724 5.5724 5.7294 5.7294 5.8926 5.8926 6.0501 6.0501 6.3725 6.3725 6.4276 6.4276 6.5397 6.5397 6.7291 6.7291 6.9875 6.9875 7.2493 7.2493 7.2610 7.2610 7.2814 7.2814 7.4480 7.4480 7.4939 7.4939 7.5412 7.5412 7.6541 7.6541 7.9292 7.9292 7.9988 7.9988 8.0176 8.0176 8.1061 8.1061 8.4545 8.4545 8.5332 8.5332 8.9885 8.9885 9.3821 9.3821 9.4212 9.4212 9.5107 9.5107 9.5749 9.5749 k = 0.4348 0.2510-0.0000 ( 12740 PWs) bands (ev): -0.2753 -0.2753 0.1517 0.1517 0.6090 0.6090 1.3547 1.3547 1.6142 1.6142 2.0708 2.0708 4.2714 4.2714 4.8494 4.8494 5.0969 5.0969 5.1324 5.1324 5.2194 5.2194 5.5597 5.5597 5.6806 5.6806 5.8953 5.8953 6.0975 6.0975 6.3990 6.3990 6.4598 6.4598 6.5404 6.5404 6.6826 6.6826 6.9432 6.9432 7.2476 7.2476 7.2670 7.2670 7.2888 7.2888 7.4571 7.4571 7.4770 7.4770 7.5361 7.5361 7.6530 7.6530 7.9373 7.9373 8.0226 8.0226 8.0351 8.0351 8.1062 8.1062 8.4895 8.4895 8.4961 8.4961 8.9601 8.9601 9.3890 9.3890 9.4331 9.4331 9.5157 9.5157 9.5605 9.5605 k = 0.4565 0.2636-0.0000 ( 12740 PWs) bands (ev): -0.2438 -0.2438 0.1170 0.1170 0.6059 0.6059 1.3503 1.3503 1.6139 1.6139 2.0759 2.0759 4.2701 4.2701 4.8596 4.8596 5.1300 5.1300 5.1395 5.1395 5.2022 5.2022 5.5370 5.5370 5.6489 5.6489 5.8972 5.8972 6.1378 6.1378 6.4197 6.4197 6.4906 6.4906 6.5409 6.5409 6.6380 6.6380 6.9078 6.9078 7.2410 7.2410 7.2761 7.2761 7.2972 7.2972 7.4630 7.4630 7.4651 7.4651 7.5307 7.5307 7.6523 7.6523 7.9428 7.9428 8.0257 8.0257 8.0658 8.0658 8.1069 8.1069 8.4573 8.4573 8.5260 8.5260 8.9360 8.9360 9.3927 9.3927 9.4465 9.4465 9.5162 9.5162 9.5494 9.5494 k = 0.4783 0.2761-0.0000 ( 12740 PWs) bands (ev): -0.2214 -0.2214 0.0925 0.0925 0.6041 0.6041 1.3476 1.3476 1.6137 1.6137 2.0791 2.0791 4.2691 4.2691 4.8662 4.8662 5.1285 5.1285 5.1708 5.1708 5.1927 5.1927 5.5117 5.5117 5.6342 5.6342 5.8984 5.8984 6.1659 6.1659 6.4330 6.4330 6.5167 6.5167 6.5445 6.5445 6.5980 6.5980 6.8845 6.8845 7.2369 7.2369 7.2809 7.2809 7.3043 7.3043 7.4560 7.4560 7.4683 7.4683 7.5265 7.5265 7.6518 7.6518 7.9460 7.9460 8.0274 8.0274 8.0871 8.0871 8.1077 8.1077 8.4337 8.4337 8.5477 8.5477 8.9192 8.9192 9.3944 9.3944 9.4590 9.4590 9.5113 9.5113 9.5441 9.5441 k = 0.5000 0.2887-0.0000 ( 12744 PWs) bands (ev): -0.2130 -0.2130 0.0835 0.0835 0.6034 0.6034 1.3467 1.3467 1.6136 1.6136 2.0801 2.0801 4.2688 4.2688 4.8685 4.8685 5.1280 5.1280 5.1794 5.1794 5.1931 5.1931 5.5004 5.5004 5.6302 5.6302 5.8988 5.8988 6.1761 6.1761 6.4376 6.4376 6.5265 6.5265 6.5594 6.5594 6.5693 6.5693 6.8763 6.8763 7.2355 7.2355 7.2825 7.2825 7.3070 7.3070 7.4533 7.4533 7.4696 7.4696 7.5249 7.5249 7.6516 7.6516 7.9470 7.9470 8.0279 8.0279 8.0948 8.0948 8.1082 8.1082 8.4251 8.4251 8.5554 8.5554 8.9132 8.9132 9.3948 9.3948 9.4648 9.4648 9.5075 9.5075 9.5430 9.5430 k = 0.5000 0.2887-0.0000 ( 12744 PWs) bands (ev): -0.2130 -0.2130 0.0835 0.0835 0.6034 0.6034 1.3467 1.3467 1.6136 1.6136 2.0801 2.0801 4.2688 4.2688 4.8685 4.8685 5.1280 5.1280 5.1794 5.1794 5.1931 5.1931 5.5004 5.5004 5.6302 5.6302 5.8988 5.8988 6.1761 6.1761 6.4376 6.4376 6.5265 6.5265 6.5594 6.5594 6.5693 6.5693 6.8763 6.8763 7.2355 7.2355 7.2825 7.2825 7.3070 7.3070 7.4533 7.4533 7.4696 7.4696 7.5249 7.5249 7.6516 7.6516 7.9470 7.9470 8.0279 8.0279 8.0948 8.0948 8.1082 8.1082 8.4251 8.4251 8.5554 8.5554 8.9132 8.9132 9.3948 9.3948 9.4648 9.4648 9.5075 9.5075 9.5430 9.5430 k = 0.4881 0.3093-0.0000 ( 12744 PWs) bands (ev): -0.2119 -0.2119 0.0837 0.0837 0.6019 0.6019 1.3430 1.3430 1.6180 1.6180 2.0791 2.0791 4.2722 4.2722 4.8692 4.8692 5.1022 5.1022 5.1841 5.1841 5.2151 5.2151 5.5019 5.5019 5.6244 5.6244 5.8990 5.8990 6.1760 6.1760 6.4201 6.4201 6.5268 6.5268 6.5608 6.5608 6.5839 6.5839 6.8753 6.8753 7.2363 7.2363 7.2838 7.2838 7.3101 7.3101 7.4410 7.4410 7.4818 7.4818 7.5254 7.5254 7.6519 7.6519 7.9470 7.9470 8.0190 8.0190 8.1010 8.1010 8.1089 8.1089 8.4244 8.4244 8.5567 8.5567 8.9127 8.9127 9.3947 9.3947 9.4651 9.4651 9.5061 9.5061 9.5440 9.5440 k = 0.4762 0.3299-0.0000 ( 12724 PWs) bands (ev): -0.2085 -0.2085 0.0843 0.0843 0.5971 0.5971 1.3326 1.3326 1.6304 1.6304 2.0761 2.0761 4.2822 4.2822 4.8712 4.8712 5.0616 5.0616 5.1815 5.1815 5.2609 5.2609 5.5055 5.5055 5.6086 5.6086 5.8996 5.8996 6.1752 6.1752 6.3814 6.3814 6.5199 6.5199 6.5766 6.5766 6.6089 6.6089 6.8737 6.8737 7.2386 7.2386 7.2863 7.2863 7.3200 7.3200 7.4234 7.4234 7.4992 7.4992 7.5267 7.5267 7.6529 7.6529 7.9470 7.9470 7.9982 7.9982 8.1081 8.1081 8.1169 8.1169 8.4223 8.4223 8.5606 8.5606 8.9112 8.9112 9.3942 9.3942 9.4661 9.4661 9.5024 9.5024 9.5470 9.5470 k = 0.4643 0.3505-0.0000 ( 12698 PWs) bands (ev): -0.2030 -0.2030 0.0852 0.0852 0.5893 0.5893 1.3174 1.3174 1.6489 1.6489 2.0710 2.0710 4.2988 4.2988 4.8746 4.8746 5.0210 5.0210 5.1759 5.1759 5.3113 5.3113 5.5068 5.5068 5.5887 5.5887 5.9006 5.9006 6.1734 6.1734 6.3352 6.3352 6.5062 6.5062 6.6018 6.6018 6.6315 6.6315 6.8760 6.8760 7.2420 7.2420 7.2886 7.2886 7.3370 7.3370 7.4058 7.4058 7.5160 7.5160 7.5291 7.5291 7.6544 7.6544 7.9468 7.9468 7.9720 7.9720 8.1102 8.1102 8.1317 8.1317 8.4188 8.4188 8.5670 8.5670 8.9087 8.9087 9.3934 9.3934 9.4675 9.4675 9.4967 9.4967 9.5522 9.5522 k = 0.4524 0.3712-0.0000 ( 12694 PWs) bands (ev): -0.1952 -0.1952 0.0861 0.0861 0.5786 0.5786 1.2996 1.2996 1.6715 1.6715 2.0641 2.0641 4.3217 4.3217 4.8792 4.8792 4.9823 4.9823 5.1682 5.1682 5.3639 5.3639 5.4933 5.4933 5.5792 5.5792 5.9019 5.9019 6.1699 6.1699 6.2868 6.2868 6.4882 6.4882 6.6214 6.6214 6.6548 6.6548 6.8867 6.8867 7.2463 7.2463 7.2904 7.2904 7.3594 7.3594 7.3890 7.3890 7.5281 7.5281 7.5358 7.5358 7.6565 7.6565 7.9405 7.9405 7.9488 7.9488 8.1127 8.1127 8.1459 8.1459 8.4140 8.4140 8.5759 8.5759 8.9051 8.9051 9.3921 9.3921 9.4692 9.4692 9.4897 9.4897 9.5596 9.5596 k = 0.4405 0.3918-0.0000 ( 12684 PWs) bands (ev): -0.1853 -0.1853 0.0869 0.0869 0.5654 0.5654 1.2808 1.2808 1.6966 1.6966 2.0553 2.0553 4.3504 4.3504 4.8849 4.8849 4.9464 4.9464 5.1584 5.1584 5.4179 5.4179 5.4585 5.4585 5.5885 5.5885 5.9035 5.9035 6.1638 6.1638 6.2382 6.2382 6.4674 6.4674 6.6180 6.6180 6.6923 6.6923 6.9068 6.9068 7.2509 7.2509 7.2920 7.2920 7.3714 7.3714 7.3871 7.3871 7.5321 7.5321 7.5496 7.5496 7.6592 7.6592 7.9100 7.9100 7.9478 7.9478 8.1158 8.1158 8.1584 8.1584 8.4079 8.4079 8.5871 8.5871 8.9002 8.9002 9.3905 9.3905 9.4705 9.4705 9.4828 9.4828 9.5694 9.5694 k = 0.4286 0.4124-0.0000 ( 12687 PWs) bands (ev): -0.1732 -0.1732 0.0872 0.0872 0.5502 0.5502 1.2623 1.2623 1.7231 1.7231 2.0448 2.0448 4.3843 4.3843 4.8903 4.8903 4.9154 4.9154 5.1467 5.1467 5.4111 5.4111 5.4731 5.4731 5.6094 5.6094 5.9052 5.9052 6.1544 6.1544 6.1906 6.1906 6.4456 6.4456 6.5994 6.5994 6.7371 6.7371 6.9330 6.9330 7.2557 7.2557 7.2934 7.2934 7.3573 7.3573 7.4147 7.4147 7.5346 7.5346 7.5630 7.5630 7.6626 7.6626 7.8768 7.8768 7.9478 7.9478 8.1197 8.1197 8.1689 8.1689 8.4007 8.4007 8.6006 8.6006 8.8941 8.8941 9.3883 9.3883 9.4697 9.4697 9.4783 9.4783 9.5816 9.5816 k = 0.4167 0.4330-0.0000 ( 12703 PWs) bands (ev): -0.1589 -0.1589 0.0864 0.0864 0.5335 0.5335 1.2449 1.2449 1.7501 1.7501 2.0328 2.0328 4.4228 4.4228 4.8789 4.8789 4.9061 4.9061 5.1334 5.1334 5.3576 5.3576 5.5287 5.5287 5.6367 5.6367 5.9071 5.9071 6.1405 6.1405 6.1451 6.1451 6.4243 6.4243 6.5726 6.5726 6.7843 6.7843 6.9614 6.9614 7.2605 7.2605 7.2947 7.2947 7.3441 7.3441 7.4437 7.4437 7.5365 7.5365 7.5748 7.5748 7.6664 7.6664 7.8426 7.8426 7.9481 7.9481 8.1245 8.1245 8.1773 8.1773 8.3924 8.3924 8.6163 8.6163 8.8864 8.8864 9.3856 9.3856 9.4654 9.4654 9.4780 9.4780 9.5966 9.5966 k = 0.4048 0.4536-0.0000 ( 12705 PWs) bands (ev): -0.1427 -0.1427 0.0839 0.0839 0.5161 0.5161 1.2292 1.2292 1.7770 1.7770 2.0193 2.0193 4.4645 4.4645 4.8556 4.8556 4.9147 4.9147 5.1184 5.1184 5.3007 5.3007 5.5843 5.5843 5.6682 5.6682 5.9090 5.9090 6.1014 6.1014 6.1222 6.1222 6.4054 6.4054 6.5414 6.5414 6.8314 6.8314 6.9886 6.9886 7.2654 7.2654 7.2958 7.2958 7.3326 7.3326 7.4727 7.4727 7.5377 7.5377 7.5847 7.5847 7.6705 7.6705 7.8080 7.8080 7.9484 7.9484 8.1304 8.1304 8.1836 8.1836 8.3833 8.3833 8.6339 8.6339 8.8770 8.8770 9.3825 9.3825 9.4608 9.4608 9.4790 9.4790 9.6143 9.6143 k = 0.3929 0.4743-0.0000 ( 12701 PWs) bands (ev): -0.1244 -0.1244 0.0790 0.0790 0.4990 0.4990 1.2157 1.2157 1.8034 1.8034 2.0046 2.0046 4.5076 4.5076 4.8369 4.8369 4.9262 4.9262 5.1022 5.1022 5.2419 5.2419 5.6392 5.6392 5.7028 5.7028 5.9108 5.9108 6.0611 6.0611 6.0981 6.0981 6.3901 6.3901 6.5085 6.5085 6.8762 6.8762 7.0127 7.0127 7.2704 7.2704 7.2965 7.2965 7.3233 7.3233 7.5005 7.5005 7.5383 7.5383 7.5928 7.5928 7.6748 7.6748 7.7736 7.7736 7.9488 7.9488 8.1372 8.1372 8.1878 8.1878 8.3736 8.3736 8.6533 8.6533 8.8657 8.8657 9.3794 9.3794 9.4572 9.4572 9.4801 9.4801 9.6348 9.6348 k = 0.3810 0.4949-0.0000 ( 12699 PWs) bands (ev): -0.1041 -0.1041 0.0710 0.0710 0.4834 0.4834 1.2044 1.2044 1.8290 1.8290 1.9887 1.9887 4.5491 4.5491 4.8267 4.8267 4.9394 4.9394 5.0847 5.0847 5.1821 5.1821 5.6924 5.6924 5.7392 5.7392 5.9125 5.9125 6.0244 6.0244 6.0691 6.0691 6.3790 6.3790 6.4759 6.4759 6.9167 6.9167 7.0324 7.0324 7.2758 7.2758 7.2965 7.2965 7.3167 7.3167 7.5257 7.5257 7.5390 7.5390 7.5989 7.5989 7.6788 7.6788 7.7404 7.7404 7.9492 7.9492 8.1451 8.1451 8.1900 8.1900 8.3637 8.3637 8.6743 8.6743 8.8523 8.8523 9.3765 9.3765 9.4547 9.4547 9.4810 9.4810 9.6580 9.6580 k = 0.3690 0.5155-0.0000 ( 12719 PWs) bands (ev): -0.0820 -0.0820 0.0589 0.0589 0.4701 0.4701 1.1956 1.1956 1.8534 1.8534 1.9720 1.9720 4.5842 4.5842 4.8293 4.8293 4.9541 4.9541 5.0661 5.0661 5.1224 5.1224 5.7424 5.7424 5.7760 5.7760 5.9140 5.9140 5.9922 5.9922 6.0362 6.0362 6.3724 6.3724 6.4452 6.4452 6.9507 6.9507 7.0469 7.0469 7.2811 7.2811 7.2955 7.2955 7.3133 7.3133 7.5379 7.5379 7.5494 7.5494 7.6035 7.6035 7.6824 7.6824 7.7098 7.7098 7.9497 7.9497 8.1538 8.1538 8.1903 8.1903 8.3542 8.3542 8.6968 8.6968 8.8364 8.8364 9.3740 9.3740 9.4530 9.4530 9.4818 9.4818 9.6840 9.6840 k = 0.3571 0.5361-0.0000 ( 12715 PWs) bands (ev): -0.0580 -0.0580 0.0424 0.0424 0.4603 0.4603 1.1893 1.1893 1.8764 1.8764 1.9545 1.9545 4.6081 4.6081 4.8493 4.8493 4.9702 4.9702 5.0454 5.0454 5.0646 5.0646 5.7869 5.7869 5.8103 5.8103 5.9151 5.9151 5.9656 5.9656 6.0021 6.0021 6.3700 6.3700 6.4185 6.4185 6.9764 6.9764 7.0561 7.0561 7.2857 7.2857 7.2940 7.2940 7.3129 7.3129 7.5409 7.5409 7.5641 7.5641 7.6065 7.6065 7.6841 7.6841 7.6853 7.6853 7.9501 7.9501 8.1628 8.1628 8.1889 8.1889 8.3457 8.3457 8.7205 8.7205 8.8178 8.8178 9.3724 9.3724 9.4518 9.4518 9.4825 9.4825 9.7124 9.7124 k = 0.3452 0.5567-0.0000 ( 12705 PWs) bands (ev): -0.0323 -0.0323 0.0211 0.0211 0.4543 0.4543 1.1856 1.1856 1.8978 1.8978 1.9364 1.9364 4.6195 4.6195 4.8867 4.8867 4.9856 4.9856 5.0046 5.0046 5.0299 5.0299 5.8217 5.8217 5.8364 5.8364 5.9159 5.9159 5.9473 5.9473 5.9723 5.9723 6.3709 6.3709 6.3984 6.3984 6.9923 6.9923 7.0606 7.0606 7.2886 7.2886 7.2928 7.2928 7.3142 7.3142 7.5472 7.5472 7.5684 7.5684 7.6082 7.6082 7.6683 7.6683 7.6867 7.6867 7.9504 7.9504 8.1711 8.1711 8.1861 8.1861 8.3394 8.3394 8.7452 8.7452 8.7965 8.7965 9.3714 9.3714 9.4511 9.4511 9.4831 9.4831 9.7430 9.7430 k = 0.3333 0.5774-0.0000 ( 12711 PWs) bands (ev): -0.0067 -0.0067 -0.0032 -0.0032 0.4523 0.4523 1.1844 1.1844 1.9154 1.9154 1.9199 1.9199 4.6223 4.6223 4.9254 4.9254 4.9567 4.9567 5.0067 5.0067 5.0117 5.0117 5.8405 5.8405 5.8416 5.8416 5.9163 5.9163 5.9409 5.9409 5.9595 5.9595 6.3722 6.3722 6.3902 6.3902 6.9977 6.9977 7.0618 7.0618 7.2898 7.2898 7.2922 7.2922 7.3150 7.3150 7.5567 7.5567 7.5614 7.5614 7.6088 7.6088 7.6637 7.6637 7.6873 7.6873 7.9505 7.9505 8.1754 8.1754 8.1839 8.1839 8.3369 8.3369 8.7670 8.7670 8.7758 8.7758 9.3712 9.3712 9.4508 9.4508 9.4834 9.4834 9.7752 9.7755 k = 0.3333 0.5774-0.0000 ( 12711 PWs) bands (ev): -0.0067 -0.0067 -0.0032 -0.0032 0.4523 0.4523 1.1844 1.1844 1.9154 1.9154 1.9199 1.9199 4.6223 4.6223 4.9254 4.9254 4.9567 4.9567 5.0067 5.0067 5.0117 5.0117 5.8405 5.8405 5.8416 5.8416 5.9163 5.9163 5.9409 5.9409 5.9595 5.9595 6.3722 6.3722 6.3902 6.3902 6.9977 6.9977 7.0618 7.0618 7.2898 7.2898 7.2922 7.2922 7.3150 7.3150 7.5567 7.5567 7.5614 7.5614 7.6088 7.6088 7.6637 7.6637 7.6873 7.6873 7.9505 7.9505 8.1754 8.1754 8.1839 8.1839 8.3369 8.3369 8.7670 8.7670 8.7758 8.7758 9.3712 9.3712 9.4508 9.4508 9.4834 9.4834 9.7750 9.7751 k = 0.3210 0.5560-0.0000 ( 12705 PWs) bands (ev): -0.0363 -0.0363 0.0251 0.0251 0.4543 0.4543 1.1857 1.1857 1.8979 1.8979 1.9362 1.9362 4.6207 4.6207 4.8803 4.8803 4.9846 4.9846 5.0092 5.0092 5.0318 5.0318 5.8164 5.8164 5.8445 5.8445 5.9159 5.9159 5.9451 5.9451 5.9703 5.9703 6.3734 6.3734 6.3971 6.3971 6.9922 6.9922 7.0611 7.0611 7.2879 7.2879 7.2932 7.2932 7.3141 7.3141 7.5401 7.5401 7.5777 7.5777 7.6082 7.6082 7.6661 7.6661 7.6867 7.6867 7.9504 7.9504 8.1713 8.1713 8.1852 8.1852 8.3403 8.3403 8.7420 8.7420 8.7994 8.7994 9.3713 9.3713 9.4512 9.4512 9.4830 9.4830 9.7423 9.7423 k = 0.3086 0.5346-0.0000 ( 12731 PWs) bands (ev): -0.0712 -0.0712 0.0566 0.0566 0.4599 0.4599 1.1896 1.1896 1.8782 1.8782 1.9524 1.9524 4.6180 4.6180 4.8238 4.8238 4.9653 4.9653 5.0519 5.0519 5.0792 5.0792 5.7762 5.7762 5.8402 5.8402 5.9150 5.9150 5.9496 5.9496 5.9902 5.9902 6.3829 6.3829 6.4124 6.4124 6.9771 6.9771 7.0598 7.0598 7.2824 7.2824 7.2942 7.2942 7.3132 7.3132 7.5177 7.5177 7.6014 7.6014 7.6065 7.6065 7.6696 7.6696 7.6852 7.6852 7.9497 7.9497 8.1632 8.1632 8.1839 8.1839 8.3513 8.3513 8.7096 8.7096 8.8277 8.8277 9.3716 9.3716 9.4527 9.4527 9.4817 9.4817 9.7118 9.7118 k = 0.2963 0.5132-0.0000 ( 12713 PWs) bands (ev): -0.1090 -0.1090 0.0895 0.0895 0.4685 0.4685 1.1959 1.1959 1.8584 1.8584 1.9663 1.9663 4.6158 4.6158 4.7682 4.7682 4.9443 4.9443 5.0778 5.0778 5.1503 5.1503 5.7304 5.7304 5.8359 5.8359 5.9135 5.9135 5.9476 5.9476 6.0084 6.0084 6.4024 6.4024 6.4324 6.4324 6.9551 6.9551 7.0590 7.0590 7.2727 7.2727 7.2930 7.2930 7.3161 7.3161 7.4945 7.4945 7.6033 7.6033 7.6288 7.6288 7.6712 7.6712 7.6831 7.6831 7.9484 7.9484 8.1533 8.1533 8.1784 8.1784 8.3702 8.3702 8.6736 8.6736 8.8566 8.8566 9.3715 9.3715 9.4555 9.4555 9.4792 9.4792 9.6837 9.6837 k = 0.2840 0.4918-0.0000 ( 12715 PWs) bands (ev): -0.1489 -0.1489 0.1237 0.1237 0.4796 0.4796 1.2047 1.2047 1.8387 1.8387 1.9778 1.9778 4.6152 4.6152 4.7144 4.7144 4.9235 4.9235 5.1046 5.1046 5.2232 5.2232 5.6828 5.6828 5.8349 5.8349 5.9114 5.9114 5.9384 5.9384 6.0210 6.0210 6.4291 6.4291 6.4550 6.4550 6.9292 6.9292 7.0600 7.0600 7.2594 7.2594 7.2901 7.2901 7.3231 7.3231 7.4716 7.4716 7.5991 7.5991 7.6553 7.6553 7.6711 7.6711 7.6807 7.6807 7.9461 7.9461 8.1417 8.1417 8.1694 8.1694 8.3962 8.3962 8.6342 8.6342 8.8860 8.8860 9.3705 9.3705 9.4597 9.4597 9.4758 9.4758 9.6580 9.6580 k = 0.2716 0.4704-0.0000 ( 12719 PWs) bands (ev): -0.1901 -0.1901 0.1589 0.1589 0.4926 0.4926 1.2158 1.2158 1.8192 1.8192 1.9870 1.9870 4.6167 4.6167 4.6628 4.6628 4.9030 4.9030 5.1330 5.1330 5.2949 5.2949 5.6347 5.6347 5.8388 5.8388 5.9088 5.9088 5.9244 5.9244 6.0269 6.0269 6.4582 6.4582 6.4776 6.4776 6.9031 6.9031 7.0650 7.0650 7.2443 7.2443 7.2865 7.2865 7.3327 7.3327 7.4490 7.4490 7.5941 7.5941 7.6616 7.6616 7.6783 7.6783 7.6866 7.6866 7.9428 7.9428 8.1286 8.1286 8.1585 8.1585 8.4281 8.4281 8.5918 8.5918 8.9156 8.9156 9.3683 9.3683 9.4633 9.4633 9.4738 9.4738 9.6345 9.6345 k = 0.2593 0.4491-0.0000 ( 12715 PWs) bands (ev): -0.2320 -0.2320 0.1951 0.1951 0.5070 0.5070 1.2291 1.2291 1.8000 1.8000 1.9937 1.9937 4.6117 4.6117 4.6223 4.6223 4.8829 4.8829 5.1629 5.1629 5.3630 5.3630 5.5870 5.5870 5.8470 5.8470 5.9055 5.9055 5.9099 5.9099 6.0261 6.0261 6.4841 6.4841 6.4972 6.4972 6.8809 6.8809 7.0764 7.0764 7.2289 7.2289 7.2826 7.2826 7.3437 7.3437 7.4270 7.4270 7.5886 7.5886 7.6541 7.6541 7.6761 7.6761 7.7097 7.7097 7.9380 7.9380 8.1139 8.1139 8.1472 8.1472 8.4648 8.4648 8.5470 8.5470 8.9454 8.9454 9.3644 9.3644 9.4604 9.4604 9.4791 9.4791 9.6127 9.6127 k = 0.2469 0.4277-0.0000 ( 12709 PWs) bands (ev): -0.2741 -0.2741 0.2321 0.2321 0.5224 0.5224 1.2444 1.2444 1.7813 1.7813 1.9981 1.9981 4.5654 4.5654 4.6279 4.6279 4.8633 4.8633 5.1943 5.1943 5.4250 5.4250 5.5402 5.5402 5.8525 5.8525 5.9017 5.9017 5.9054 5.9054 6.0189 6.0189 6.4998 6.4998 6.5122 6.5122 6.8675 6.8675 7.0961 7.0961 7.2144 7.2144 7.2783 7.2783 7.3549 7.3549 7.4054 7.4054 7.5837 7.5837 7.6434 7.6434 7.6745 7.6745 7.7288 7.7288 7.9315 7.9315 8.0978 8.0978 8.1369 8.1369 8.4985 8.4985 8.5071 8.5071 8.9751 8.9751 9.3586 9.3586 9.4538 9.4538 9.4893 9.4893 9.5923 9.5923 k = 0.2346 0.4063-0.0000 ( 12695 PWs) bands (ev): -0.3158 -0.3158 0.2696 0.2696 0.5386 0.5386 1.2615 1.2615 1.7630 1.7630 2.0002 2.0002 4.5207 4.5207 4.6371 4.6371 4.8444 4.8444 5.2271 5.2271 5.4773 5.4773 5.4956 5.4956 5.8431 5.8431 5.8976 5.8976 5.9255 5.9255 6.0058 6.0058 6.5011 6.5011 6.5207 6.5207 6.8668 6.8668 7.1252 7.1252 7.2017 7.2017 7.2737 7.2737 7.3643 7.3643 7.3848 7.3848 7.5806 7.5806 7.6306 7.6306 7.6736 7.6736 7.7422 7.7422 7.9228 7.9228 8.0802 8.0802 8.1286 8.1286 8.4519 8.4519 8.5495 8.5495 9.0045 9.0045 9.3510 9.3510 9.4457 9.4457 9.5020 9.5020 9.5732 9.5732 k = 0.2222 0.3849-0.0000 ( 12699 PWs) bands (ev): -0.3570 -0.3570 0.3074 0.3074 0.5553 0.5553 1.2803 1.2803 1.7454 1.7454 2.0001 2.0001 4.4783 4.4783 4.6490 4.6490 4.8262 4.8262 5.2613 5.2613 5.4500 5.4500 5.5215 5.5215 5.8256 5.8256 5.8930 5.8930 5.9650 5.9650 5.9876 5.9876 6.4890 6.4890 6.5206 6.5206 6.8796 6.8796 7.1622 7.1622 7.1928 7.1928 7.2690 7.2690 7.3598 7.3598 7.3761 7.3761 7.5810 7.5810 7.6165 7.6165 7.6733 7.6733 7.7491 7.7491 7.9113 7.9113 8.0611 8.0611 8.1231 8.1231 8.4036 8.4036 8.5956 8.5956 9.0334 9.0334 9.3418 9.3418 9.4364 9.4364 9.5163 9.5163 9.5555 9.5555 k = 0.2099 0.3635-0.0000 ( 12691 PWs) bands (ev): -0.3971 -0.3971 0.3454 0.3454 0.5722 0.5722 1.3006 1.3006 1.7284 1.7284 1.9980 1.9980 4.4386 4.4386 4.6635 4.6635 4.8088 4.8088 5.2967 5.2967 5.4080 5.4080 5.5527 5.5527 5.8068 5.8068 5.8880 5.8880 5.9640 5.9640 6.0173 6.0173 6.4674 6.4674 6.5129 6.5129 6.9027 6.9027 7.1767 7.1767 7.2170 7.2170 7.2641 7.2641 7.3406 7.3406 7.3785 7.3785 7.5864 7.5864 7.6018 7.6018 7.6737 7.6737 7.7493 7.7493 7.8966 7.8966 8.0405 8.0405 8.1210 8.1210 8.3560 8.3560 8.6434 8.6434 9.0618 9.0618 9.3311 9.3311 9.4257 9.4257 9.5266 9.5266 9.5445 9.5445 k = 0.1975 0.3421-0.0000 ( 12687 PWs) bands (ev): -0.4361 -0.4361 0.3833 0.3833 0.5892 0.5892 1.3220 1.3220 1.7121 1.7121 1.9941 1.9941 4.4014 4.4014 4.6803 4.6803 4.7923 4.7923 5.3322 5.3322 5.3689 5.3689 5.5732 5.5732 5.7887 5.7887 5.8828 5.8828 5.9367 5.9367 6.0770 6.0770 6.4419 6.4419 6.4994 6.4994 6.9317 6.9317 7.1712 7.1712 7.2590 7.2590 7.2702 7.2702 7.3211 7.3211 7.3772 7.3772 7.5865 7.5865 7.5984 7.5984 7.6750 7.6750 7.7432 7.7432 7.8779 7.8779 8.0184 8.0184 8.1221 8.1221 8.3102 8.3102 8.6919 8.6919 9.0893 9.0893 9.3195 9.3195 9.4133 9.4133 9.5154 9.5154 9.5576 9.5576 k = 0.1852 0.3208-0.0000 ( 12679 PWs) bands (ev): -0.4735 -0.4735 0.4208 0.4208 0.6061 0.6061 1.3444 1.3444 1.6966 1.6966 1.9886 1.9886 4.3669 4.3669 4.6995 4.6995 4.7766 4.7766 5.3273 5.3273 5.3733 5.3733 5.5840 5.5840 5.7718 5.7718 5.8773 5.8773 5.9056 5.9056 6.1389 6.1389 6.4190 6.4190 6.4821 6.4821 6.9626 6.9626 7.1666 7.1666 7.2539 7.2539 7.3030 7.3030 7.3295 7.3295 7.3714 7.3714 7.5721 7.5721 7.6152 7.6152 7.6775 7.6775 7.7316 7.7316 7.8546 7.8546 7.9947 7.9947 8.1260 8.1260 8.2672 8.2672 8.7404 8.7404 9.1157 9.1157 9.3074 9.3074 9.3988 9.3988 9.4989 9.4989 9.5787 9.5787 k = 0.1728 0.2994-0.0000 ( 12685 PWs) bands (ev): -0.5093 -0.5093 0.4577 0.4577 0.6227 0.6227 1.3674 1.3674 1.6820 1.6820 1.9817 1.9817 4.3351 4.3351 4.7207 4.7207 4.7620 4.7620 5.2922 5.2922 5.4110 5.4110 5.5866 5.5866 5.7556 5.7556 5.8685 5.8685 5.8746 5.8746 6.1944 6.1944 6.4081 6.4081 6.4627 6.4627 6.9923 6.9923 7.1638 7.1638 7.2488 7.2488 7.2872 7.2872 7.3604 7.3604 7.3934 7.3934 7.5583 7.5583 7.6353 7.6353 7.6827 7.6827 7.7157 7.7157 7.8263 7.8263 7.9694 7.9694 8.1320 8.1320 8.2282 8.2282 8.7881 8.7881 9.1409 9.1409 9.2951 9.2951 9.3822 9.3822 9.4820 9.4820 9.6028 9.6028 k = 0.1605 0.2780-0.0000 ( 12685 PWs) bands (ev): -0.5432 -0.5432 0.4937 0.4937 0.6390 0.6390 1.3907 1.3907 1.6682 1.6682 1.9738 1.9738 4.3058 4.3058 4.7420 4.7420 4.7502 4.7502 5.2589 5.2589 5.4500 5.4500 5.5828 5.5828 5.7388 5.7388 5.8338 5.8338 5.8671 5.8671 6.2302 6.2302 6.4209 6.4209 6.4449 6.4449 7.0185 7.0185 7.1628 7.1628 7.2437 7.2437 7.2747 7.2747 7.3483 7.3483 7.4574 7.4574 7.5454 7.5454 7.6531 7.6531 7.6913 7.6913 7.6996 7.6996 7.7928 7.7928 7.9424 7.9424 8.1394 8.1394 8.1938 8.1938 8.8342 8.8342 9.1645 9.1645 9.2829 9.2829 9.3634 9.3634 9.4654 9.4654 9.6293 9.6293 k = 0.1481 0.2566-0.0000 ( 12701 PWs) bands (ev): -0.5752 -0.5752 0.5286 0.5286 0.6548 0.6548 1.4140 1.4140 1.6552 1.6552 1.9651 1.9651 4.2793 4.2793 4.7348 4.7348 4.7697 4.7697 5.2280 5.2280 5.4893 5.4893 5.5743 5.5743 5.7199 5.7199 5.7954 5.7954 5.8616 5.8616 6.2415 6.2415 6.4174 6.4174 6.4745 6.4745 7.0392 7.0392 7.1635 7.1635 7.2392 7.2392 7.2665 7.2665 7.3343 7.3343 7.5206 7.5206 7.5351 7.5351 7.6630 7.6630 7.6739 7.6739 7.7183 7.7183 7.7549 7.7549 7.9138 7.9138 8.1476 8.1476 8.1643 8.1643 8.8779 8.8779 9.1861 9.1861 9.2712 9.2712 9.3427 9.3427 9.4493 9.4493 9.6582 9.6582 k = 0.1358 0.2352-0.0000 ( 12705 PWs) bands (ev): -0.6050 -0.6050 0.5621 0.5621 0.6700 0.6700 1.4369 1.4369 1.6432 1.6432 1.9559 1.9559 4.2553 4.2553 4.7232 4.7232 4.7961 4.7961 5.1997 5.1997 5.5277 5.5277 5.5636 5.5636 5.6977 5.6977 5.7561 5.7561 5.8564 5.8564 6.2406 6.2406 6.3976 6.3976 6.5397 6.5397 7.0530 7.0530 7.1660 7.1660 7.2356 7.2356 7.2633 7.2633 7.3194 7.3194 7.5220 7.5220 7.5866 7.5866 7.6494 7.6494 7.6696 7.6696 7.7116 7.7116 7.7501 7.7501 7.8833 7.8833 8.1394 8.1394 8.1561 8.1561 8.9188 8.9188 9.2049 9.2049 9.2607 9.2607 9.3208 9.3208 9.4339 9.4339 9.6888 9.6888 k = 0.1235 0.2138-0.0000 ( 12701 PWs) bands (ev): -0.6325 -0.6325 0.5938 0.5938 0.6845 0.6845 1.4590 1.4590 1.6322 1.6322 1.9465 1.9465 4.2338 4.2338 4.7124 4.7124 4.8239 4.8239 5.1741 5.1741 5.5443 5.5443 5.5722 5.5722 5.6717 5.6717 5.7166 5.7166 5.8514 5.8514 6.2379 6.2379 6.3779 6.3779 6.6136 6.6136 7.0597 7.0597 7.1701 7.1701 7.2326 7.2326 7.2656 7.2656 7.3044 7.3044 7.5123 7.5123 7.6249 7.6249 7.6449 7.6449 7.6711 7.6711 7.6729 7.6729 7.7836 7.7836 7.8513 7.8513 8.1186 8.1186 8.1645 8.1645 8.9564 8.9564 9.2179 9.2179 9.2536 9.2536 9.2986 9.2986 9.4194 9.4194 9.7190 9.7190 k = 0.1111 0.1925-0.0000 ( 12689 PWs) bands (ev): -0.6577 -0.6577 0.6236 0.6236 0.6982 0.6982 1.4801 1.4801 1.6221 1.6221 1.9372 1.9372 4.2149 4.2149 4.7027 4.7027 4.8528 4.8528 5.1514 5.1514 5.5311 5.5311 5.6077 5.6077 5.6431 5.6431 5.6777 5.6777 5.8467 5.8467 6.2371 6.2371 6.3592 6.3592 6.6905 6.6905 7.0604 7.0604 7.1756 7.1756 7.2299 7.2299 7.2726 7.2726 7.2900 7.2900 7.5034 7.5034 7.6007 7.6007 7.6183 7.6183 7.6753 7.6753 7.7106 7.7106 7.8119 7.8119 7.8246 7.8246 8.1014 8.1014 8.1725 8.1725 8.9902 8.9902 9.2194 9.2194 9.2530 9.2530 9.2795 9.2795 9.4060 9.4060 9.7113 9.7113 k = 0.0988 0.1711-0.0000 ( 12695 PWs) bands (ev): -0.6805 -0.6805 0.6512 0.6512 0.7110 0.7110 1.4997 1.4997 1.6130 1.6130 1.9283 1.9283 4.1983 4.1983 4.6940 4.6940 4.8824 4.8824 5.1314 5.1314 5.5158 5.5158 5.6075 5.6075 5.6400 5.6400 5.6483 5.6483 5.8424 5.8424 6.2391 6.2391 6.3420 6.3420 6.7678 6.7678 7.0572 7.0572 7.1823 7.1823 7.2271 7.2271 7.2749 7.2749 7.2844 7.2844 7.4950 7.4950 7.5716 7.5716 7.5775 7.5775 7.6775 7.6775 7.7637 7.7637 7.7819 7.7819 7.8566 7.8566 8.0871 8.0871 8.1800 8.1800 9.0201 9.0201 9.2115 9.2115 9.2447 9.2447 9.2762 9.2762 9.3940 9.3940 9.6613 9.6613 k = 0.0864 0.1497-0.0000 ( 12681 PWs) bands (ev): -0.7008 -0.7008 0.6761 0.6761 0.7226 0.7226 1.5175 1.5175 1.6050 1.6050 1.9201 1.9201 4.1840 4.1840 4.6863 4.6863 4.9123 4.9123 5.1142 5.1142 5.5001 5.5001 5.5751 5.5751 5.6045 5.6045 5.6826 5.6826 5.8386 5.8386 6.2433 6.2433 6.3264 6.3264 6.8441 6.8441 7.0520 7.0520 7.1900 7.1900 7.2244 7.2244 7.2627 7.2627 7.2961 7.2961 7.4870 7.4870 7.5270 7.5270 7.5539 7.5539 7.6794 7.6794 7.7405 7.7405 7.8185 7.8185 7.8920 7.8920 8.0752 8.0752 8.1867 8.1867 9.0460 9.0460 9.1999 9.1999 9.2275 9.2275 9.2848 9.2848 9.3835 9.3835 9.6103 9.6103 k = 0.0741 0.1283-0.0000 ( 12675 PWs) bands (ev): -0.7184 -0.7184 0.6984 0.6984 0.7331 0.7331 1.5334 1.5334 1.5980 1.5980 1.9127 1.9127 4.1719 4.1719 4.6797 4.6797 4.9421 4.9421 5.0998 5.0998 5.4840 5.4840 5.5426 5.5426 5.5716 5.5716 5.7153 5.7153 5.8354 5.8354 6.2488 6.2488 6.3126 6.3126 6.9183 6.9183 7.0463 7.0463 7.1984 7.1984 7.2220 7.2220 7.2513 7.2513 7.3087 7.3087 7.4791 7.4791 7.4846 7.4846 7.5324 7.5324 7.6810 7.6810 7.7006 7.7006 7.8648 7.8648 7.9259 7.9259 8.0654 8.0654 8.1927 8.1927 9.0679 9.0679 9.1862 9.1862 9.2117 9.2117 9.2940 9.2940 9.3748 9.3748 9.5620 9.5620 k = 0.0617 0.1069-0.0000 ( 12671 PWs) bands (ev): -0.7335 -0.7335 0.7175 0.7175 0.7423 0.7423 1.5470 1.5470 1.5920 1.5920 1.9063 1.9063 4.1619 4.1619 4.6741 4.6741 4.9710 4.9710 5.0881 5.0881 5.4669 5.4669 5.5128 5.5128 5.5425 5.5425 5.7446 5.7446 5.8329 5.8329 6.2549 6.2549 6.3008 6.3008 6.9887 6.9887 7.0420 7.0420 7.2072 7.2072 7.2196 7.2196 7.2415 7.2415 7.3209 7.3209 7.4460 7.4460 7.4709 7.4709 7.5133 7.5133 7.6585 7.6585 7.6826 7.6826 7.9054 7.9054 7.9572 7.9572 8.0575 8.0575 8.1978 8.1978 9.0858 9.0858 9.1718 9.1718 9.1990 9.1990 9.3014 9.3014 9.3682 9.3682 9.5179 9.5179 k = 0.0494 0.0855-0.0000 ( 12669 PWs) bands (ev): -0.7459 -0.7459 0.7333 0.7333 0.7502 0.7502 1.5582 1.5582 1.5871 1.5871 1.9011 1.9011 4.1539 4.1539 4.6695 4.6695 4.9983 4.9983 5.0790 5.0790 5.4475 5.4475 5.4885 5.4885 5.5180 5.5180 5.7696 5.7696 5.8314 5.8314 6.2608 6.2608 6.2911 6.2911 7.0303 7.0303 7.0632 7.0632 7.2161 7.2161 7.2175 7.2175 7.2335 7.2335 7.3321 7.3321 7.4124 7.4124 7.4621 7.4621 7.4975 7.4975 7.6156 7.6156 7.6838 7.6838 7.9397 7.9397 7.9848 7.9848 8.0513 8.0513 8.2021 8.2021 9.0998 9.0998 9.1583 9.1583 9.1891 9.1891 9.3066 9.3066 9.3639 9.3639 9.4794 9.4794 k = 0.0370 0.0642-0.0000 ( 12667 PWs) bands (ev): -0.7555 -0.7555 0.7456 0.7456 0.7567 0.7567 1.5670 1.5670 1.5833 1.5833 1.8970 1.8970 4.1478 4.1478 4.6659 4.6659 5.0223 5.0223 5.0727 5.0727 5.4263 5.4263 5.4709 5.4709 5.4991 5.4991 5.7888 5.7888 5.8315 5.8315 6.2658 6.2658 6.2835 6.2835 7.0291 7.0291 7.1225 7.1225 7.2154 7.2154 7.2242 7.2242 7.2280 7.2280 7.3418 7.3418 7.3850 7.3850 7.4526 7.4526 7.4856 7.4856 7.5727 7.5727 7.6848 7.6848 7.9670 7.9670 8.0077 8.0077 8.0467 8.0467 8.2054 8.2054 9.1098 9.1098 9.1475 9.1475 9.1815 9.1815 9.3095 9.3095 9.3615 9.3615 9.4480 9.4480 k = 0.0247 0.0428-0.0000 ( 12673 PWs) bands (ev): -0.7624 -0.7624 0.7539 0.7539 0.7619 0.7619 1.5731 1.5731 1.5806 1.5806 1.8941 1.8941 4.1435 4.1435 4.6634 4.6634 5.0407 5.0407 5.0696 5.0696 5.4068 5.4068 5.4590 5.4590 5.4859 5.4859 5.8011 5.8011 5.8336 5.8336 6.2692 6.2692 6.2784 6.2784 7.0267 7.0267 7.1747 7.1747 7.2134 7.2134 7.2233 7.2233 7.2337 7.2337 7.3495 7.3495 7.3647 7.3647 7.4433 7.4433 7.4776 7.4776 7.5329 7.5329 7.6855 7.6855 7.9868 7.9868 8.0245 8.0245 8.0439 8.0439 8.2077 8.2077 9.1154 9.1154 9.1406 9.1406 9.1760 9.1760 9.3107 9.3107 9.3606 9.3606 9.4247 9.4247 k = 0.0123 0.0214-0.0000 ( 12671 PWs) bands (ev): -0.7666 -0.7666 0.7585 0.7585 0.7655 0.7655 1.5765 1.5765 1.5793 1.5793 1.8924 1.8924 4.1410 4.1410 4.6618 4.6618 5.0504 5.0504 5.0704 5.0704 5.3932 5.3932 5.4518 5.4518 5.4784 5.4784 5.8069 5.8069 5.8366 5.8366 6.2705 6.2705 6.2763 6.2763 7.0251 7.0251 7.2086 7.2086 7.2119 7.2119 7.2214 7.2214 7.2446 7.2446 7.3522 7.3522 7.3548 7.3548 7.4357 7.4357 7.4727 7.4727 7.5024 7.5024 7.6859 7.6859 7.9988 7.9988 8.0335 8.0335 8.0436 8.0436 8.2092 8.2092 9.1171 9.1171 9.1379 9.1379 9.1726 9.1726 9.3110 9.3110 9.3603 9.3603 9.4104 9.4104 k = 0.0000 0.0000 0.0000 ( 12671 PWs) bands (ev): -0.7680 -0.7680 0.7599 0.7599 0.7669 0.7669 1.5772 1.5772 1.5794 1.5794 1.8919 1.8919 4.1401 4.1401 4.6613 4.6613 5.0526 5.0526 5.0720 5.0720 5.3882 5.3882 5.4494 5.4494 5.4759 5.4759 5.8085 5.8085 5.8380 5.8380 6.2705 6.2705 6.2761 6.2761 7.0246 7.0246 7.2113 7.2113 7.2182 7.2182 7.2208 7.2208 7.2524 7.2524 7.3480 7.3480 7.3568 7.3568 7.4323 7.4323 7.4706 7.4706 7.4908 7.4908 7.6860 7.6860 8.0029 8.0029 8.0355 8.0355 8.0446 8.0446 8.2097 8.2097 9.1172 9.1172 9.1375 9.1375 9.1715 9.1715 9.3110 9.3110 9.3603 9.3603 9.4056 9.4056 k = 0.0000 0.0000 0.0000 ( 12671 PWs) bands (ev): -0.7680 -0.7680 0.7599 0.7599 0.7669 0.7669 1.5772 1.5772 1.5794 1.5794 1.8919 1.8919 4.1401 4.1401 4.6613 4.6613 5.0526 5.0526 5.0720 5.0720 5.3882 5.3882 5.4494 5.4494 5.4759 5.4759 5.8085 5.8085 5.8380 5.8380 6.2705 6.2705 6.2761 6.2761 7.0246 7.0246 7.2113 7.2113 7.2182 7.2182 7.2208 7.2208 7.2524 7.2524 7.3480 7.3480 7.3568 7.3568 7.4323 7.4323 7.4706 7.4706 7.4908 7.4908 7.6860 7.6860 8.0029 8.0029 8.0355 8.0355 8.0446 8.0446 8.2097 8.2097 9.1172 9.1172 9.1375 9.1375 9.1715 9.1715 9.3110 9.3110 9.3603 9.3603 9.4056 9.4056 k = 0.0000 0.0000 0.0256 ( 12665 PWs) bands (ev): -0.7664 -0.7664 0.7608 0.7608 0.7678 0.7678 1.5772 1.5772 1.5794 1.5794 1.8883 1.8883 4.1422 4.1422 4.6646 4.6646 5.0477 5.0477 5.0674 5.0674 5.3900 5.3900 5.4492 5.4492 5.4758 5.4758 5.8142 5.8142 5.8434 5.8434 6.2711 6.2711 6.2767 6.2767 7.0241 7.0241 7.2091 7.2091 7.2171 7.2171 7.2184 7.2184 7.2512 7.2512 7.3389 7.3389 7.3565 7.3565 7.4328 7.4328 7.4711 7.4711 7.4931 7.4931 7.6843 7.6843 8.0112 8.0112 8.0363 8.0363 8.0452 8.0452 8.2122 8.2122 9.1178 9.1178 9.1380 9.1380 9.1729 9.1729 9.3109 9.3109 9.3602 9.3602 9.3962 9.3962 k = 0.0000 0.0000 0.0512 ( 12659 PWs) bands (ev): -0.7618 -0.7618 0.7634 0.7634 0.7704 0.7704 1.5774 1.5774 1.5795 1.5795 1.8776 1.8776 4.1482 4.1482 4.6745 4.6745 5.0333 5.0333 5.0539 5.0539 5.3951 5.3951 5.4484 5.4484 5.4752 5.4752 5.8307 5.8307 5.8590 5.8590 6.2731 6.2731 6.2786 6.2786 7.0228 7.0228 7.2024 7.2024 7.2115 7.2115 7.2140 7.2140 7.2477 7.2477 7.3131 7.3131 7.3556 7.3556 7.4344 7.4344 7.4728 7.4728 7.5002 7.5002 7.6792 7.6792 8.0347 8.0347 8.0387 8.0387 8.0470 8.0470 8.2200 8.2200 9.1197 9.1197 9.1396 9.1396 9.1772 9.1772 9.3106 9.3106 9.3601 9.3601 9.3693 9.3693 k = 0.0000 0.0000 0.0768 ( 12660 PWs) bands (ev): -0.7541 -0.7541 0.7678 0.7678 0.7748 0.7748 1.5775 1.5775 1.5797 1.5797 1.8601 1.8601 4.1583 4.1583 4.6907 4.6907 5.0109 5.0109 5.0329 5.0329 5.4036 5.4036 5.4470 5.4470 5.4743 5.4743 5.8566 5.8566 5.8836 5.8836 6.2763 6.2763 6.2819 6.2819 7.0205 7.0205 7.1914 7.1914 7.2001 7.2001 7.2090 7.2090 7.2420 7.2420 7.2735 7.2735 7.3538 7.3538 7.4371 7.4371 7.4756 7.4756 7.5118 7.5118 7.6711 7.6711 8.0425 8.0425 8.0491 8.0491 8.0712 8.0712 8.2329 8.2329 9.1228 9.1228 9.1420 9.1420 9.1841 9.1841 9.3100 9.3100 9.3284 9.3284 9.3599 9.3599 k = 0.0000 0.0000 0.1024 ( 12690 PWs) bands (ev): -0.7434 -0.7434 0.7739 0.7739 0.7809 0.7809 1.5777 1.5777 1.5799 1.5799 1.8359 1.8359 4.1723 4.1723 4.7132 4.7132 4.9823 4.9823 5.0059 5.0059 5.4154 5.4154 5.4450 5.4450 5.4727 5.4727 5.8903 5.8903 5.9155 5.9155 6.2807 6.2807 6.2863 6.2863 7.0172 7.0172 7.1765 7.1765 7.1847 7.1847 7.2020 7.2020 7.2237 7.2237 7.2343 7.2343 7.3510 7.3510 7.4408 7.4408 7.4794 7.4794 7.5279 7.5279 7.6604 7.6604 8.0473 8.0473 8.0525 8.0525 8.1162 8.1162 8.2509 8.2509 9.1272 9.1272 9.1445 9.1445 9.1934 9.1934 9.2780 9.2780 9.3094 9.3094 9.3598 9.3598 k = 0.0000 0.0000 0.1279 ( 12660 PWs) bands (ev): -0.7296 -0.7296 0.7817 0.7817 0.7887 0.7887 1.5778 1.5778 1.5799 1.5799 1.8054 1.8054 4.1902 4.1902 4.7414 4.7414 4.9493 4.9493 4.9746 4.9746 5.4305 5.4305 5.4421 5.4421 5.4705 5.4705 5.9297 5.9297 5.9531 5.9531 6.2863 6.2863 6.2919 6.2919 7.0126 7.0126 7.1580 7.1580 7.1656 7.1656 7.1657 7.1657 7.1941 7.1941 7.2249 7.2249 7.3467 7.3467 7.4456 7.4456 7.4844 7.4844 7.5483 7.5483 7.6478 7.6478 8.0530 8.0530 8.0561 8.0561 8.1675 8.1675 8.2739 8.2739 9.1326 9.1326 9.1440 9.1440 9.2048 9.2048 9.2245 9.2245 9.3088 9.3088 9.3598 9.3598 k = 0.0000 0.0000 0.1535 ( 12684 PWs) bands (ev): -0.7128 -0.7128 0.7912 0.7912 0.7982 0.7982 1.5778 1.5778 1.5799 1.5799 1.7690 1.7690 4.2119 4.2119 4.7751 4.7751 4.9137 4.9137 4.9407 4.9407 5.4382 5.4382 5.4487 5.4487 5.4674 5.4674 5.9732 5.9732 5.9948 5.9948 6.2929 6.2929 6.2985 6.2985 7.0067 7.0067 7.1028 7.1028 7.1365 7.1365 7.1434 7.1434 7.1844 7.1844 7.2140 7.2140 7.3402 7.3402 7.4514 7.4514 7.4905 7.4905 7.5728 7.5728 7.6341 7.6341 8.0589 8.0589 8.0598 8.0598 8.2229 8.2229 8.3019 8.3019 9.1241 9.1241 9.1392 9.1392 9.1872 9.1872 9.2180 9.2180 9.3083 9.3083 9.3602 9.3602 k = 0.0000 0.0000 0.1791 ( 12702 PWs) bands (ev): -0.6930 -0.6930 0.8024 0.8024 0.8094 0.8094 1.5775 1.5775 1.5795 1.5795 1.7273 1.7273 4.2374 4.2374 4.8138 4.8138 4.8768 4.8768 4.9055 4.9055 5.4330 5.4330 5.4630 5.4630 5.4701 5.4701 6.0194 6.0194 6.0392 6.0392 6.3005 6.3005 6.3061 6.3061 6.9992 6.9992 7.0360 7.0360 7.1127 7.1127 7.1188 7.1188 7.1737 7.1737 7.2021 7.2021 7.3310 7.3310 7.4582 7.4582 7.4977 7.4977 7.6009 7.6009 7.6202 7.6202 8.0632 8.0632 8.0648 8.0648 8.2811 8.2811 8.3347 8.3347 9.0715 9.0715 9.1467 9.1467 9.1818 9.1818 9.2324 9.2324 9.3080 9.3080 9.3611 9.3611 k = 0.0000 0.0000 0.2047 ( 12708 PWs) bands (ev): -0.6702 -0.6702 0.8152 0.8152 0.8222 0.8222 1.5767 1.5767 1.5787 1.5787 1.6806 1.6806 4.2666 4.2666 4.8397 4.8397 4.8572 4.8572 4.8701 4.8701 5.4263 5.4263 5.4573 5.4573 5.4944 5.4944 6.0671 6.0671 6.0852 6.0852 6.3090 6.3090 6.3145 6.3145 6.9649 6.9649 6.9913 6.9913 7.0872 7.0872 7.0925 7.0925 7.1625 7.1625 7.1894 7.1894 7.3184 7.3184 7.4661 7.4661 7.5059 7.5059 7.6069 7.6069 7.6320 7.6320 8.0659 8.0659 8.0702 8.0702 8.3409 8.3409 8.3722 8.3722 9.0094 9.0094 9.1549 9.1549 9.1871 9.1871 9.2478 9.2478 9.3079 9.3079 9.3625 9.3625 k = 0.0000 0.0000 0.2303 ( 12690 PWs) bands (ev): -0.6445 -0.6445 0.8296 0.8296 0.8366 0.8366 1.5755 1.5755 1.5774 1.5774 1.6294 1.6294 4.2993 4.2993 4.8036 4.8036 4.8354 4.8354 4.9047 4.9047 5.4177 5.4177 5.4498 5.4498 5.5216 5.5216 6.1153 6.1153 6.1317 6.1317 6.3181 6.3181 6.3237 6.3237 6.8930 6.8930 6.9802 6.9802 7.0609 7.0609 7.0653 7.0653 7.1509 7.1509 7.1763 7.1763 7.3018 7.3018 7.4749 7.4749 7.5153 7.5153 7.5950 7.5950 7.6652 7.6652 8.0676 8.0676 8.0746 8.0746 8.4018 8.4018 8.4143 8.4143 8.9472 8.9472 9.1638 9.1638 9.1952 9.1952 9.2636 9.2636 9.3081 9.3081 9.3647 9.3647 k = 0.0000 0.0000 0.2559 ( 12684 PWs) bands (ev): -0.6160 -0.6160 0.8456 0.8456 0.8525 0.8525 1.5736 1.5736 1.5743 1.5743 1.5754 1.5754 4.3355 4.3355 4.7690 4.7690 4.8022 4.8022 4.9561 4.9561 5.4071 5.4071 5.4403 5.4403 5.5515 5.5515 6.1630 6.1630 6.1780 6.1780 6.3277 6.3277 6.3333 6.3333 6.8190 6.8190 6.9676 6.9676 7.0346 7.0346 7.0383 7.0383 7.1393 7.1393 7.1631 7.1631 7.2810 7.2810 7.4847 7.4847 7.5258 7.5258 7.5851 7.5851 7.6992 7.6992 8.0680 8.0680 8.0778 8.0778 8.4606 8.4606 8.4632 8.4632 8.8886 8.8886 9.1731 9.1731 9.2046 9.2046 9.2796 9.2796 9.3086 9.3086 9.3678 9.3678 k = 0.0000 0.0000 0.2815 ( 12666 PWs) bands (ev): -0.5845 -0.5845 0.8630 0.8630 0.8699 0.8699 1.5156 1.5156 1.5708 1.5708 1.5725 1.5725 4.3750 4.3750 4.7367 4.7367 4.7712 4.7712 5.0107 5.0107 5.3940 5.3940 5.4283 5.4283 5.5841 5.5841 6.2096 6.2096 6.2233 6.2233 6.3377 6.3377 6.3432 6.3432 6.7435 6.7435 6.9530 6.9530 7.0092 7.0092 7.0121 7.0121 7.1279 7.1279 7.1501 7.1501 7.2558 7.2558 7.4953 7.4953 7.5373 7.5373 7.5774 7.5774 7.7326 7.7326 8.0669 8.0669 8.0795 8.0795 8.5110 8.5110 8.5247 8.5247 8.8360 8.8360 9.1825 9.1825 9.2144 9.2144 9.2950 9.2950 9.3091 9.3091 9.3721 9.3721 k = 0.0000 0.0000 0.3071 ( 12690 PWs) bands (ev): -0.5503 -0.5503 0.8819 0.8819 0.8887 0.8887 1.4539 1.4539 1.5671 1.5671 1.5687 1.5687 4.4176 4.4176 4.7072 4.7072 4.7428 4.7428 5.0684 5.0684 5.3782 5.3782 5.4136 5.4136 5.6192 5.6192 6.2544 6.2544 6.2668 6.2668 6.3478 6.3478 6.3533 6.3533 6.6670 6.6670 6.9362 6.9362 6.9856 6.9856 6.9879 6.9879 7.1172 7.1172 7.1377 7.1377 7.2265 7.2265 7.5065 7.5065 7.5500 7.5500 7.5720 7.5720 7.7632 7.7632 8.0640 8.0640 8.0793 8.0793 8.5651 8.5651 8.5860 8.5860 8.7922 8.7922 9.1917 9.1917 9.2242 9.2242 9.3093 9.3093 9.3097 9.3097 9.3780 9.3780 k = 0.0000 0.0000 0.3326 ( 12714 PWs) bands (ev): -0.5134 -0.5134 0.9022 0.9022 0.9089 0.9089 1.3896 1.3896 1.5623 1.5623 1.5636 1.5636 4.4633 4.4633 4.6810 4.6810 4.7177 4.7177 5.1286 5.1286 5.3595 5.3595 5.3959 5.3959 5.6566 5.6566 6.2966 6.2966 6.3078 6.3078 6.3578 6.3578 6.3635 6.3635 6.5896 6.5896 6.9169 6.9169 6.9645 6.9645 6.9663 6.9663 7.1073 7.1073 7.1261 7.1261 7.1935 7.1935 7.5177 7.5177 7.5637 7.5637 7.5691 7.5691 7.7887 7.7887 8.0593 8.0593 8.0771 8.0771 8.6225 8.6225 8.6468 8.6468 8.7598 8.7598 9.2005 9.2005 9.2337 9.2337 9.3103 9.3103 9.3215 9.3215 9.3862 9.3862 k = 0.0000 0.0000 0.3582 ( 12744 PWs) bands (ev): -0.4738 -0.4738 0.9237 0.9237 0.9304 0.9304 1.3230 1.3230 1.5561 1.5561 1.5573 1.5573 4.5119 4.5119 4.6585 4.6585 4.6961 4.6961 5.1909 5.1909 5.3379 5.3379 5.3749 5.3749 5.6961 5.6961 6.3357 6.3357 6.3453 6.3453 6.3676 6.3676 6.3740 6.3740 6.5116 6.5116 6.8951 6.8951 6.9467 6.9467 6.9481 6.9481 7.0985 7.0985 7.1156 7.1156 7.1572 7.1572 7.5281 7.5281 7.5693 7.5693 7.5784 7.5784 7.8068 7.8068 8.0526 8.0526 8.0729 8.0729 8.6827 8.6827 8.7066 8.7066 8.7419 8.7419 9.2086 9.2086 9.2425 9.2425 9.3105 9.3105 9.3309 9.3309 9.3972 9.3972 k = 0.0000 0.0000 0.3838 ( 12720 PWs) bands (ev): -0.4316 -0.4316 0.9465 0.9465 0.9531 0.9531 1.2545 1.2545 1.5486 1.5486 1.5496 1.5496 4.5632 4.5632 4.6399 4.6399 4.6784 4.6784 5.2541 5.2541 5.3142 5.3142 5.3506 5.3506 5.7377 5.7377 6.3713 6.3713 6.3748 6.3748 6.3771 6.3771 6.3888 6.3888 6.4331 6.4331 6.8705 6.8705 6.9327 6.9327 6.9339 6.9339 7.0910 7.0910 7.1063 7.1063 7.1181 7.1181 7.5358 7.5358 7.5741 7.5741 7.5941 7.5941 7.8157 7.8157 8.0440 8.0440 8.0666 8.0666 8.7380 8.7380 8.7451 8.7451 8.7676 8.7676 9.2156 9.2156 9.2503 9.2503 9.3104 9.3104 9.3374 9.3374 9.4107 9.4107 k = 0.0000 0.0000 0.4094 ( 12744 PWs) bands (ev): -0.3868 -0.3868 0.9704 0.9704 0.9769 0.9769 1.1845 1.1845 1.5396 1.5396 1.5403 1.5403 4.6171 4.6171 4.6256 4.6256 4.6648 4.6648 5.2794 5.2794 5.3228 5.3228 5.3267 5.3267 5.7810 5.7810 6.3543 6.3543 6.3861 6.3861 6.3883 6.3883 6.4028 6.4028 6.4153 6.4153 6.8428 6.8428 6.9228 6.9228 6.9240 6.9240 7.0765 7.0765 7.0849 7.0849 7.0985 7.0985 7.5399 7.5399 7.5840 7.5840 7.6107 7.6107 7.8147 7.8147 8.0334 8.0334 8.0582 8.0582 8.7528 8.7528 8.8091 8.8091 8.8255 8.8255 9.2215 9.2215 9.2569 9.2569 9.3097 9.3097 9.3412 9.3412 9.4262 9.4262 k = 0.0000 0.0000 0.4350 ( 12744 PWs) bands (ev): -0.3395 -0.3395 0.9954 0.9954 1.0018 1.0018 1.1133 1.1133 1.5290 1.5290 1.5294 1.5294 4.6157 4.6157 4.6556 4.6556 4.6734 4.6734 5.2501 5.2501 5.2916 5.2916 5.3922 5.3922 5.8259 5.8259 6.2753 6.2753 6.3947 6.3947 6.3976 6.3976 6.4299 6.4299 6.4414 6.4414 6.8121 6.8121 6.9172 6.9172 6.9186 6.9186 7.0329 7.0329 7.0803 7.0803 7.0921 7.0921 7.5413 7.5413 7.5979 7.5979 7.6282 7.6282 7.8046 7.8046 8.0210 8.0210 8.0480 8.0480 8.7832 8.7832 8.8738 8.8738 8.8824 8.8824 9.2262 9.2262 9.2623 9.2623 9.3084 9.3084 9.3429 9.3429 9.4428 9.4428 k = 0.0000 0.0000 0.4606 ( 12780 PWs) bands (ev): -0.2899 -0.2899 1.0212 1.0212 1.0276 1.0276 1.0411 1.0411 1.5167 1.5167 1.5168 1.5168 4.6104 4.6104 4.6510 4.6510 4.7319 4.7319 5.2158 5.2158 5.2573 5.2573 5.4610 5.4610 5.8719 5.8719 6.1964 6.1964 6.4029 6.4029 6.4061 6.4061 6.4525 6.4525 6.4636 6.4636 6.7780 6.7780 6.9155 6.9155 6.9175 6.9175 6.9877 6.9877 7.0770 7.0770 7.0872 7.0872 7.5415 7.5415 7.6142 7.6142 7.6466 7.6466 7.7870 7.7870 8.0069 8.0069 8.0358 8.0358 8.8273 8.8273 8.9378 8.9378 8.9382 8.9382 9.2297 9.2297 9.2665 9.2665 9.3062 9.3062 9.3428 9.3428 9.4597 9.4597 k = 0.0000 0.0000 0.4862 ( 12792 PWs) bands (ev): -0.2380 -0.2380 0.9681 0.9681 1.0481 1.0481 1.0541 1.0541 1.5025 1.5025 1.5027 1.5027 4.6099 4.6099 4.6509 4.6509 4.7925 4.7925 5.1788 5.1788 5.2202 5.2202 5.5309 5.5309 5.9186 5.9186 6.1180 6.1180 6.4109 6.4109 6.4142 6.4142 6.4705 6.4705 6.4815 6.4815 6.7406 6.7406 6.9158 6.9158 6.9205 6.9205 6.9429 6.9429 7.0747 7.0747 7.0833 7.0833 7.5413 7.5413 7.6319 7.6319 7.6656 7.6656 7.7642 7.7642 7.9914 7.9914 8.0221 8.0221 8.8823 8.8823 8.9913 8.9913 9.0012 9.0012 9.2321 9.2321 9.2698 9.2698 9.3032 9.3032 9.3412 9.3412 9.4760 9.4760 k = 0.0000 0.0000 0.5118 ( 12792 PWs) bands (ev): -0.1838 -0.1838 0.8948 0.8948 1.0755 1.0755 1.0814 1.0814 1.4864 1.4864 1.4869 1.4869 4.6140 4.6140 4.6555 4.6555 4.8548 4.8548 5.1396 5.1396 5.1807 5.1807 5.6016 5.6016 5.9633 5.9633 6.0422 6.0422 6.4187 6.4187 6.4223 6.4223 6.4841 6.4841 6.4950 6.4950 6.7000 6.7000 6.8885 6.8885 6.9269 6.9269 6.9279 6.9279 7.0730 7.0730 7.0803 7.0803 7.5411 7.5411 7.6507 7.6507 7.6852 7.6852 7.7386 7.7386 7.9746 7.9746 8.0069 8.0069 8.9451 8.9451 9.0425 9.0425 9.0616 9.0616 9.2338 9.2338 9.2724 9.2724 9.2994 9.2994 9.3383 9.3383 9.4911 9.4911 k = 0.0000 0.0000 0.5373 ( 12780 PWs) bands (ev): -0.1275 -0.1275 0.8213 0.8213 1.1035 1.1035 1.1092 1.1092 1.4686 1.4686 1.4695 1.4695 4.6228 4.6228 4.6647 4.6647 4.9183 4.9183 5.0994 5.0994 5.1393 5.1393 5.6727 5.6727 5.9516 5.9516 6.0232 6.0232 6.4265 6.4265 6.4305 6.4305 6.4936 6.4936 6.5043 6.5043 6.6567 6.6567 6.8401 6.8401 6.9357 6.9357 6.9364 6.9364 7.0715 7.0715 7.0776 7.0776 7.5412 7.5412 7.6702 7.6702 7.7054 7.7054 7.7120 7.7120 7.9568 7.9568 7.9904 7.9904 9.0128 9.0129 9.0910 9.0910 9.1179 9.1179 9.2349 9.2349 9.2747 9.2747 9.2948 9.2948 9.3342 9.3342 9.5040 9.5040 k = 0.0000 0.0000 0.5629 ( 12762 PWs) bands (ev): -0.0691 -0.0691 0.7478 0.7478 1.1319 1.1319 1.1374 1.1374 1.4491 1.4491 1.4504 1.4504 4.6361 4.6361 4.6784 4.6784 4.9799 4.9799 5.0615 5.0615 5.0966 5.0966 5.7439 5.7439 5.8769 5.8769 6.0667 6.0667 6.4344 6.4344 6.4388 6.4388 6.4994 6.4994 6.5099 6.5099 6.6113 6.6113 6.7900 6.7900 6.9469 6.9469 6.9481 6.9481 7.0697 7.0697 7.0747 7.0747 7.5420 7.5420 7.6858 7.6858 7.6904 7.6904 7.7261 7.7261 7.9382 7.9382 7.9728 7.9728 9.0825 9.0825 9.1363 9.1363 9.1686 9.1686 9.2359 9.2359 9.2774 9.2774 9.2894 9.2894 9.3293 9.3293 9.5136 9.5136 k = 0.0000 0.0000 0.5885 ( 12738 PWs) bands (ev): -0.0088 -0.0088 0.6745 0.6745 1.1607 1.1607 1.1659 1.1659 1.4280 1.4280 1.4298 1.4298 4.6539 4.6539 4.6965 4.6965 4.9989 4.9989 5.0531 5.0531 5.0670 5.0670 5.7994 5.7994 5.8147 5.8147 6.1111 6.1111 6.4425 6.4425 6.4473 6.4473 6.5019 6.5019 6.5122 6.5122 6.5654 6.5654 6.7390 6.7390 6.9599 6.9599 6.9615 6.9615 7.0670 7.0670 7.0711 7.0711 7.5436 7.5436 7.6610 7.6610 7.7109 7.7109 7.7470 7.7470 7.9189 7.9189 7.9543 7.9543 9.1507 9.1507 9.1778 9.1778 9.2125 9.2125 9.2370 9.2370 9.2815 9.2815 9.2835 9.2835 9.3236 9.3236 9.5191 9.5191 k = 0.0000 0.0000 0.6141 ( 12714 PWs) bands (ev): 0.0533 0.0533 0.6017 0.6017 1.1896 1.1896 1.1946 1.1946 1.4055 1.4055 1.4076 1.4076 4.6760 4.6760 4.7188 4.7188 4.9622 4.9622 5.0094 5.0094 5.1297 5.1297 5.7219 5.7219 5.8848 5.8848 6.1510 6.1510 6.4506 6.4506 6.4560 6.4560 6.5016 6.5016 6.5116 6.5116 6.5219 6.5219 6.6880 6.6880 6.9740 6.9740 6.9758 6.9758 7.0630 7.0630 7.0665 7.0665 7.5463 7.5463 7.6384 7.6384 7.7318 7.7318 7.7682 7.7682 7.8991 7.8991 7.9351 7.9351 9.2085 9.2085 9.2193 9.2193 9.2386 9.2386 9.2479 9.2479 9.2771 9.2771 9.2898 9.2898 9.3178 9.3178 9.5190 9.5190 k = 0.0000 0.0000 0.6397 ( 12708 PWs) bands (ev): 0.1172 0.1172 0.5294 0.5294 1.2184 1.2184 1.2231 1.2231 1.3816 1.3816 1.3841 1.3841 4.7020 4.7020 4.7451 4.7451 4.9205 4.9205 4.9662 4.9662 5.1990 5.1990 5.6448 5.6448 5.9532 5.9532 6.1806 6.1806 6.4588 6.4588 6.4648 6.4648 6.4863 6.4863 6.4992 6.4992 6.5087 6.5087 6.6373 6.6373 6.9886 6.9886 6.9906 6.9906 7.0573 7.0573 7.0603 7.0603 7.5504 7.5504 7.6183 7.6183 7.7529 7.7529 7.7895 7.7895 7.8788 7.8788 7.9153 7.9153 9.2408 9.2408 9.2408 9.2408 9.2622 9.2622 9.2707 9.2707 9.2732 9.2732 9.3128 9.3128 9.3131 9.3131 9.5124 9.5124 k = 0.0000 0.0000 0.6653 ( 12726 PWs) bands (ev): 0.1826 0.1826 0.4579 0.4579 1.2471 1.2471 1.2515 1.2515 1.3564 1.3564 1.3594 1.3594 4.7316 4.7316 4.7750 4.7750 4.8790 4.8790 4.9239 4.9239 5.2705 5.2705 5.5683 5.5683 6.0191 6.0191 6.1906 6.1906 6.4669 6.4669 6.4681 6.4681 6.4736 6.4736 6.4948 6.4948 6.5039 6.5039 6.5881 6.5881 7.0030 7.0030 7.0051 7.0051 7.0498 7.0498 7.0525 7.0525 7.5562 7.5562 7.6009 7.6009 7.7740 7.7740 7.8109 7.8109 7.8582 7.8582 7.8950 7.8950 9.2439 9.2439 9.2613 9.2613 9.2643 9.2643 9.2841 9.2841 9.2859 9.2859 9.3107 9.3107 9.3576 9.3576 9.4981 9.4981 k = 0.0000 0.0000 0.6909 ( 12732 PWs) bands (ev): 0.2495 0.2495 0.3873 0.3873 1.2754 1.2754 1.2795 1.2795 1.3303 1.3303 1.3336 1.3336 4.7646 4.7646 4.8083 4.8083 4.8388 4.8388 4.8832 4.8832 5.3434 5.3434 5.4924 5.4924 6.0805 6.0805 6.1738 6.1738 6.4745 6.4745 6.4748 6.4748 6.4822 6.4822 6.4892 6.4892 6.4976 6.4976 6.5420 6.5420 7.0167 7.0167 7.0190 7.0190 7.0404 7.0404 7.0429 7.0429 7.5639 7.5639 7.5860 7.5860 7.7952 7.7952 7.8322 7.8322 7.8374 7.8374 7.8743 7.8743 9.2479 9.2479 9.2582 9.2582 9.2732 9.2732 9.2862 9.2862 9.2989 9.2989 9.3114 9.3114 9.4039 9.4039 9.4754 9.4754 k = 0.0000 0.0000 0.7165 ( 12756 PWs) bands (ev): 0.3178 0.3178 0.3178 0.3178 1.3032 1.3032 1.3032 1.3032 1.3069 1.3069 1.3069 1.3069 4.8005 4.8005 4.8005 4.8005 4.8445 4.8445 4.8445 4.8445 5.4174 5.4174 5.4174 5.4174 6.1342 6.1342 6.1342 6.1342 6.4822 6.4822 6.4822 6.4822 6.4903 6.4903 6.4903 6.4903 6.5022 6.5022 6.5022 6.5022 7.0293 7.0293 7.0293 7.0293 7.0317 7.0317 7.0317 7.0317 7.5738 7.5738 7.5738 7.5738 7.8164 7.8164 7.8164 7.8164 7.8533 7.8533 7.8533 7.8533 9.2527 9.2527 9.2527 9.2527 9.2809 9.2809 9.2809 9.2809 9.3083 9.3083 9.3083 9.3083 9.4439 9.4439 9.4439 9.4439 k = 0.0000 0.0000 0.7165 ( 12756 PWs) bands (ev): 0.3178 0.3178 0.3178 0.3178 1.3032 1.3032 1.3032 1.3032 1.3069 1.3069 1.3069 1.3069 4.8005 4.8005 4.8005 4.8005 4.8445 4.8445 4.8445 4.8445 5.4174 5.4174 5.4174 5.4174 6.1342 6.1342 6.1342 6.1342 6.4822 6.4822 6.4822 6.4822 6.4903 6.4903 6.4903 6.4903 6.5022 6.5022 6.5022 6.5022 7.0293 7.0293 7.0293 7.0293 7.0317 7.0317 7.0317 7.0317 7.5738 7.5738 7.5738 7.5738 7.8164 7.8164 7.8164 7.8164 7.8533 7.8533 7.8533 7.8533 9.2527 9.2527 9.2527 9.2527 9.2809 9.2809 9.2809 9.2809 9.3083 9.3083 9.3083 9.3083 9.4439 9.4439 9.4439 9.4439 k = 0.0217 0.0126 0.7165 ( 12754 PWs) bands (ev): 0.3189 0.3189 0.3189 0.3189 1.3024 1.3024 1.3024 1.3024 1.3061 1.3061 1.3061 1.3061 4.7981 4.7981 4.7983 4.7983 4.8418 4.8418 4.8419 4.8419 5.4233 5.4233 5.4233 5.4233 6.1349 6.1349 6.1349 6.1349 6.4490 6.4490 6.4498 6.4498 6.4860 6.4860 6.4871 6.4871 6.5370 6.5370 6.5374 6.5374 7.0303 7.0303 7.0306 7.0306 7.0332 7.0332 7.0335 7.0335 7.5743 7.5743 7.5743 7.5743 7.8175 7.8175 7.8176 7.8176 7.8545 7.8545 7.8545 7.8545 9.2521 9.2521 9.2521 9.2521 9.2807 9.2807 9.2808 9.2808 9.3091 9.3091 9.3091 9.3091 9.4432 9.4432 9.4432 9.4432 k = 0.0435 0.0251 0.7165 ( 12748 PWs) bands (ev): 0.3222 0.3222 0.3222 0.3222 1.2999 1.2999 1.3002 1.3002 1.3036 1.3036 1.3040 1.3040 4.7910 4.7910 4.7919 4.7919 4.8341 4.8341 4.8351 4.8351 5.4405 5.4405 5.4406 5.4406 6.1366 6.1366 6.1366 6.1366 6.4047 6.4047 6.4062 6.4062 6.4856 6.4856 6.4880 6.4880 6.5761 6.5761 6.5771 6.5771 7.0322 7.0322 7.0333 7.0333 7.0387 7.0387 7.0397 7.0397 7.5759 7.5759 7.5759 7.5759 7.8208 7.8208 7.8213 7.8213 7.8577 7.8577 7.8582 7.8582 9.2498 9.2498 9.2502 9.2502 9.2799 9.2799 9.2807 9.2807 9.3114 9.3114 9.3119 9.3119 9.4412 9.4412 9.4413 9.4413 k = 0.0652 0.0377 0.7165 ( 12764 PWs) bands (ev): 0.3277 0.3277 0.3277 0.3277 1.2956 1.2956 1.2966 1.2966 1.2995 1.2995 1.3005 1.3005 4.7789 4.7789 4.7816 4.7816 4.8224 4.8224 4.8253 4.8253 5.4676 5.4676 5.4678 5.4678 6.1376 6.1376 6.1377 6.1377 6.3610 6.3610 6.3634 6.3634 6.4859 6.4859 6.4897 6.4897 6.6130 6.6130 6.6144 6.6144 7.0351 7.0351 7.0367 7.0367 7.0484 7.0484 7.0500 7.0500 7.5785 7.5785 7.5786 7.5786 7.8260 7.8260 7.8276 7.8276 7.8629 7.8629 7.8644 7.8644 9.2454 9.2454 9.2461 9.2461 9.2789 9.2789 9.2807 9.2807 9.3159 9.3159 9.3169 9.3169 9.4381 9.4381 9.4382 9.4382 k = 0.0870 0.0502 0.7165 ( 12750 PWs) bands (ev): 0.3354 0.3354 0.3354 0.3354 1.2893 1.2893 1.2912 1.2912 1.2941 1.2941 1.2960 1.2960 4.7625 4.7625 4.7680 4.7680 4.8082 4.8082 4.8141 4.8141 5.5028 5.5028 5.5035 5.5035 6.1347 6.1347 6.1349 6.1349 6.3211 6.3211 6.3246 6.3246 6.4872 6.4872 6.4924 6.4924 6.6475 6.6475 6.6493 6.6493 7.0389 7.0389 7.0412 7.0412 7.0617 7.0617 7.0637 7.0637 7.5822 7.5822 7.5824 7.5824 7.8329 7.8329 7.8366 7.8366 7.8699 7.8699 7.8734 7.8734 9.2384 9.2384 9.2391 9.2391 9.2781 9.2781 9.2805 9.2805 9.3230 9.3230 9.3244 9.3244 9.4339 9.4339 9.4343 9.4343 k = 0.1087 0.0628 0.7165 ( 12734 PWs) bands (ev): 0.3452 0.3452 0.3452 0.3452 1.2810 1.2810 1.2833 1.2833 1.2882 1.2882 1.2905 1.2905 4.7429 4.7429 4.7516 4.7516 4.7928 4.7928 4.8021 4.8021 5.5446 5.5446 5.5457 5.5457 6.1229 6.1229 6.1232 6.1232 6.2897 6.2897 6.2945 6.2945 6.4900 6.4900 6.4967 6.4967 6.6797 6.6797 6.6818 6.6818 7.0437 7.0437 7.0466 7.0466 7.0778 7.0778 7.0802 7.0802 7.5869 7.5869 7.5873 7.5873 7.8413 7.8413 7.8483 7.8483 7.8786 7.8786 7.8851 7.8851 9.2282 9.2282 9.2284 9.2284 9.2779 9.2779 9.2801 9.2801 9.3329 9.3329 9.3344 9.3344 9.4289 9.4289 9.4298 9.4298 k = 0.1304 0.0753 0.7165 ( 12730 PWs) bands (ev): 0.3571 0.3571 0.3571 0.3571 1.2706 1.2706 1.2730 1.2730 1.2818 1.2818 1.2843 1.2843 4.7214 4.7214 4.7330 4.7330 4.7773 4.7773 4.7897 4.7897 5.5913 5.5913 5.5929 5.5929 6.0982 6.0982 6.0982 6.0982 6.2705 6.2705 6.2766 6.2766 6.4949 6.4949 6.5031 6.5031 6.7101 6.7101 6.7123 6.7123 7.0492 7.0492 7.0528 7.0528 7.0960 7.0960 7.0988 7.0988 7.5926 7.5926 7.5933 7.5933 7.8511 7.8511 7.8624 7.8624 7.8889 7.8889 7.8996 7.8996 9.2140 9.2140 9.2147 9.2147 9.2784 9.2784 9.2797 9.2797 9.3453 9.3453 9.3464 9.3464 9.4237 9.4237 9.4251 9.4251 k = 0.1522 0.0879 0.7165 ( 12734 PWs) bands (ev): 0.3710 0.3710 0.3710 0.3710 1.2580 1.2580 1.2603 1.2603 1.2751 1.2751 1.2775 1.2775 4.6990 4.6990 4.7130 4.7130 4.7625 4.7625 4.7775 4.7775 5.6413 5.6413 5.6436 5.6436 6.0610 6.0610 6.0616 6.0616 6.2622 6.2622 6.2691 6.2691 6.5023 6.5023 6.5119 6.5119 6.7391 6.7391 6.7413 6.7413 7.0553 7.0553 7.0596 7.0596 7.1157 7.1157 7.1189 7.1189 7.5993 7.5993 7.6004 7.6004 7.8620 7.8620 7.8784 7.8784 7.9012 7.9012 7.9167 7.9167 9.1957 9.1957 9.1975 9.1975 9.2796 9.2796 9.2797 9.2797 9.3595 9.3595 9.3599 9.3599 9.4188 9.4188 9.4212 9.4212 k = 0.1739 0.1004 0.7165 ( 12736 PWs) bands (ev): 0.3870 0.3870 0.3870 0.3870 1.2432 1.2432 1.2454 1.2454 1.2679 1.2679 1.2702 1.2702 4.6766 4.6766 4.6922 4.6922 4.7490 4.7490 4.7658 4.7658 5.6931 5.6931 5.6965 5.6965 6.0164 6.0164 6.0182 6.0182 6.2597 6.2597 6.2672 6.2672 6.5123 6.5123 6.5230 6.5230 6.7674 6.7674 6.7694 6.7694 7.0619 7.0619 7.0668 7.0668 7.1362 7.1362 7.1397 7.1397 7.6072 7.6072 7.6087 7.6087 7.8740 7.8740 7.8955 7.8955 7.9159 7.9159 7.9363 7.9363 9.1734 9.1734 9.1764 9.1764 9.2803 9.2803 9.2817 9.2817 9.3732 9.3732 9.3740 9.3740 9.4158 9.4158 9.4196 9.4196 k = 0.1957 0.1130 0.7165 ( 12732 PWs) bands (ev): 0.4050 0.4050 0.4050 0.4050 1.2263 1.2263 1.2283 1.2283 1.2605 1.2605 1.2627 1.2627 4.6545 4.6545 4.6710 4.6710 4.7374 4.7374 4.7551 4.7551 5.7444 5.7444 5.7496 5.7496 5.9693 5.9693 5.9730 5.9730 6.2593 6.2593 6.2672 6.2672 6.5245 6.5245 6.5359 6.5359 6.7956 6.7956 6.7973 6.7973 7.0686 7.0686 7.0743 7.0743 7.1569 7.1569 7.1607 7.1607 7.6162 7.6162 7.6182 7.6182 7.8868 7.8868 7.9122 7.9122 7.9340 7.9340 7.9580 7.9580 9.1472 9.1472 9.1512 9.1512 9.2819 9.2819 9.2848 9.2848 9.3832 9.3832 9.3850 9.3850 9.4186 9.4186 9.4235 9.4235 k = 0.2174 0.1255 0.7165 ( 12720 PWs) bands (ev): 0.4248 0.4248 0.4248 0.4248 1.2072 1.2072 1.2091 1.2091 1.2530 1.2530 1.2550 1.2550 4.6330 4.6330 4.6498 4.6498 4.7279 4.7279 4.7459 4.7459 5.7895 5.7895 5.7982 5.7982 5.9260 5.9260 5.9332 5.9332 6.2589 6.2589 6.2670 6.2670 6.5381 6.5381 6.5497 6.5497 6.8243 6.8243 6.8253 6.8253 7.0755 7.0755 7.0819 7.0819 7.1774 7.1774 7.1815 7.1815 7.6265 7.6265 7.6291 7.6291 7.9004 7.9004 7.9277 7.9277 7.9557 7.9557 7.9815 7.9815 9.1170 9.1170 9.1217 9.1217 9.2848 9.2848 9.2889 9.2889 9.3873 9.3873 9.3883 9.3883 9.4310 9.4310 9.4354 9.4354 k = 0.2391 0.1381 0.7165 ( 12720 PWs) bands (ev): 0.4464 0.4464 0.4464 0.4464 1.1860 1.1860 1.1877 1.1877 1.2455 1.2455 1.2474 1.2474 4.6125 4.6125 4.6289 4.6289 4.7210 4.7210 4.7387 4.7387 5.8075 5.8075 5.8193 5.8193 5.9100 5.9100 5.9203 5.9203 6.2579 6.2579 6.2661 6.2661 6.5520 6.5520 6.5635 6.5635 6.8536 6.8536 6.8539 6.8539 7.0824 7.0824 7.0895 7.0895 7.1970 7.1970 7.2016 7.2016 7.6381 7.6381 7.6414 7.6414 7.9144 7.9144 7.9425 7.9425 7.9803 7.9803 8.0067 8.0067 9.0829 9.0829 9.0881 9.0881 9.2890 9.2890 9.2942 9.2942 9.3876 9.3876 9.3879 9.3879 9.4494 9.4494 9.4528 9.4528 k = 0.2609 0.1506 0.7165 ( 12734 PWs) bands (ev): 0.4698 0.4698 0.4698 0.4698 1.1628 1.1628 1.1644 1.1644 1.2381 1.2381 1.2398 1.2398 4.5929 4.5929 4.6085 4.6085 4.7166 4.7166 4.7335 4.7335 5.7821 5.7821 5.7898 5.7898 5.9447 5.9447 5.9509 5.9509 6.2563 6.2563 6.2644 6.2644 6.5652 6.5652 6.5762 6.5762 6.8831 6.8831 6.8837 6.8837 7.0893 7.0893 7.0970 7.0970 7.2156 7.2156 7.2206 7.2206 7.6513 7.6513 7.6552 7.6552 7.9286 7.9286 7.9567 7.9567 8.0067 8.0067 8.0330 8.0330 9.0451 9.0451 9.0505 9.0505 9.2947 9.2947 9.3007 9.3007 9.3866 9.3866 9.3882 9.3882 9.4699 9.4699 9.4724 9.4724 k = 0.2826 0.1632 0.7165 ( 12742 PWs) bands (ev): 0.4948 0.4948 0.4948 0.4948 1.1378 1.1378 1.1391 1.1391 1.2309 1.2309 1.2325 1.2325 4.5745 4.5745 4.5890 4.5890 4.7149 4.7149 4.7306 4.7306 5.7399 5.7399 5.7450 5.7450 5.9947 5.9947 5.9981 5.9981 6.2543 6.2543 6.2622 6.2622 6.5767 6.5767 6.5869 6.5869 6.9128 6.9128 6.9144 6.9144 7.0961 7.0961 7.1044 7.1044 7.2327 7.2327 7.2382 7.2382 7.6661 7.6661 7.6707 7.6707 7.9430 7.9430 7.9705 7.9705 8.0345 8.0345 8.0602 8.0602 9.0038 9.0038 9.0093 9.0093 9.3019 9.3019 9.3085 9.3085 9.3866 9.3866 9.3896 9.3896 9.4909 9.4909 9.4926 9.4926 k = 0.3043 0.1757 0.7165 ( 12740 PWs) bands (ev): 0.5213 0.5213 0.5213 0.5213 1.1110 1.1110 1.1122 1.1122 1.2241 1.2241 1.2256 1.2256 4.5574 4.5574 4.5706 4.5706 4.7155 4.7155 4.7299 4.7299 5.6949 5.6949 5.6985 5.6985 6.0462 6.0462 6.0480 6.0480 6.2524 6.2524 6.2601 6.2601 6.5858 6.5858 6.5952 6.5952 6.9424 6.9424 6.9450 6.9450 7.1029 7.1029 7.1118 7.1118 7.2481 7.2481 7.2541 7.2541 7.6825 7.6825 7.6877 7.6877 7.9571 7.9571 7.9837 7.9837 8.0631 8.0631 8.0880 8.0880 8.9596 8.9596 8.9648 8.9648 9.3106 9.3106 9.3173 9.3173 9.3883 9.3883 9.3928 9.3928 9.5115 9.5115 9.5123 9.5123 k = 0.3261 0.1883 0.7165 ( 12724 PWs) bands (ev): 0.5491 0.5491 0.5492 0.5492 1.0826 1.0826 1.0837 1.0837 1.2178 1.2178 1.2191 1.2191 4.5418 4.5418 4.5535 4.5535 4.7184 4.7184 4.7313 4.7313 5.6506 5.6506 5.6534 5.6534 6.0957 6.0957 6.0964 6.0964 6.2513 6.2513 6.2589 6.2589 6.5922 6.5922 6.6006 6.6006 6.9713 6.9713 6.9747 6.9747 7.1101 7.1101 7.1194 7.1194 7.2615 7.2615 7.2680 7.2680 7.7004 7.7004 7.7063 7.7063 7.9709 7.9709 7.9962 7.9962 8.0923 8.0923 8.1160 8.1160 8.9130 8.9130 8.9176 8.9176 9.3208 9.3208 9.3271 9.3271 9.3919 9.3919 9.3984 9.3984 9.5308 9.5308 9.5309 9.5309 k = 0.3478 0.2008 0.7165 ( 12720 PWs) bands (ev): 0.5783 0.5783 0.5783 0.5783 1.0529 1.0529 1.0538 1.0538 1.2120 1.2120 1.2132 1.2132 4.5276 4.5276 4.5379 4.5379 4.7230 4.7230 4.7344 4.7344 5.6085 5.6085 5.6108 5.6108 6.1404 6.1404 6.1408 6.1408 6.2524 6.2524 6.2601 6.2601 6.5956 6.5956 6.6031 6.6031 6.9982 6.9982 7.0023 7.0023 7.1179 7.1179 7.1275 7.1275 7.2727 7.2727 7.2795 7.2795 7.7197 7.7197 7.7259 7.7259 7.9840 7.9840 8.0077 8.0077 8.1218 8.1218 8.1441 8.1441 8.8647 8.8647 8.8687 8.8687 9.3324 9.3324 9.3377 9.3377 9.3975 9.3975 9.4063 9.4063 9.5472 9.5472 9.5485 9.5485 k = 0.3696 0.2134 0.7165 ( 12744 PWs) bands (ev): 0.6085 0.6085 0.6086 0.6086 1.0221 1.0221 1.0228 1.0228 1.2069 1.2069 1.2078 1.2078 4.5152 4.5152 4.5240 4.5240 4.7291 4.7291 4.7389 4.7389 5.5696 5.5696 5.5715 5.5715 6.1763 6.1763 6.1776 6.1776 6.2591 6.2591 6.2668 6.2668 6.5962 6.5962 6.6027 6.6027 7.0222 7.0222 7.0266 7.0266 7.1268 7.1268 7.1364 7.1364 7.2815 7.2815 7.2887 7.2887 7.7398 7.7398 7.7462 7.7462 7.9962 7.9962 8.0180 8.0180 8.1514 8.1514 8.1720 8.1720 8.8157 8.8157 8.8188 8.8188 9.3455 9.3455 9.3492 9.3492 9.4047 9.4047 9.4165 9.4165 9.5604 9.5604 9.5634 9.5634 k = 0.3913 0.2259 0.7165 ( 12732 PWs) bands (ev): 0.6396 0.6396 0.6397 0.6397 0.9903 0.9903 0.9909 0.9909 1.2024 1.2024 1.2032 1.2032 4.5046 4.5046 4.5119 4.5119 4.7360 4.7360 4.7442 4.7442 5.5348 5.5348 5.5364 5.5364 6.1992 6.1992 6.2003 6.2003 6.2764 6.2764 6.2832 6.2832 6.5941 6.5941 6.5997 6.5997 7.0422 7.0422 7.0463 7.0463 7.1373 7.1373 7.1464 7.1464 7.2882 7.2882 7.2953 7.2953 7.7600 7.7600 7.7663 7.7663 8.0074 8.0074 8.0267 8.0267 8.1810 8.1810 8.1995 8.1995 8.7672 8.7672 8.7694 8.7694 9.3602 9.3602 9.3616 9.3616 9.4129 9.4129 9.4283 9.4283 9.5690 9.5690 9.5743 9.5743 k = 0.4130 0.2385 0.7165 ( 12724 PWs) bands (ev): 0.6713 0.6713 0.6714 0.6714 0.9580 0.9580 0.9585 0.9585 1.1987 1.1987 1.1993 1.1993 4.4959 4.4959 4.5017 4.5017 4.7431 4.7431 4.7497 4.7497 5.5049 5.5049 5.5062 5.5062 6.2095 6.2095 6.2098 6.2098 6.3029 6.3029 6.3080 6.3080 6.5898 6.5898 6.5945 6.5945 7.0576 7.0576 7.0610 7.0610 7.1492 7.1492 7.1573 7.1573 7.2927 7.2927 7.2994 7.2994 7.7792 7.7792 7.7850 7.7850 8.0173 8.0173 8.0337 8.0337 8.2100 8.2100 8.2261 8.2261 8.7207 8.7207 8.7219 8.7219 9.3748 9.3748 9.3764 9.3764 9.4212 9.4212 9.4408 9.4408 9.5708 9.5709 9.5793 9.5793 k = 0.4348 0.2510 0.7165 ( 12710 PWs) bands (ev): 0.7032 0.7032 0.7032 0.7032 0.9257 0.9257 0.9261 0.9261 1.1958 1.1958 1.1962 1.1962 4.4892 4.4892 4.4935 4.4935 4.7498 4.7498 4.7547 4.7547 5.4806 5.4806 5.4816 5.4816 6.2130 6.2130 6.2131 6.2131 6.3306 6.3306 6.3342 6.3342 6.5841 6.5841 6.5879 6.5879 7.0685 7.0685 7.0710 7.0710 7.1614 7.1614 7.1680 7.1680 7.2956 7.2956 7.3014 7.3014 7.7962 7.7962 7.8011 7.8011 8.0258 8.0258 8.0388 8.0388 8.2376 8.2376 8.2507 8.2507 8.6783 8.6783 8.6787 8.6787 9.3885 9.3885 9.3938 9.3938 9.4290 9.4290 9.4530 9.4530 9.5646 9.5646 9.5765 9.5765 k = 0.4565 0.2636 0.7165 ( 12702 PWs) bands (ev): 0.7341 0.7341 0.7342 0.7342 0.8943 0.8943 0.8946 0.8946 1.1937 1.1937 1.1940 1.1940 4.4845 4.4845 4.4874 4.4874 4.7554 4.7554 4.7587 4.7587 5.4627 5.4627 5.4634 5.4634 6.2140 6.2140 6.2142 6.2142 6.3540 6.3540 6.3564 6.3564 6.5782 6.5782 6.5809 6.5809 7.0756 7.0756 7.0772 7.0772 7.1723 7.1723 7.1769 7.1769 7.2973 7.2973 7.3017 7.3017 7.8099 7.8099 7.8135 7.8135 8.0327 8.0327 8.0417 8.0417 8.2621 8.2621 8.2714 8.2714 8.6428 8.6428 8.6430 8.6430 9.4017 9.4017 9.4104 9.4104 9.4366 9.4366 9.4632 9.4632 9.5523 9.5523 9.5661 9.5661 k = 0.4783 0.2761 0.7165 ( 12706 PWs) bands (ev): 0.7613 0.7613 0.7614 0.7614 0.8669 0.8669 0.8671 0.8671 1.1924 1.1924 1.1926 1.1926 4.4820 4.4820 4.4834 4.4834 4.7593 4.7593 4.7610 4.7610 5.4517 5.4517 5.4521 5.4521 6.2143 6.2143 6.2145 6.2145 6.3699 6.3699 6.3712 6.3712 6.5738 6.5738 6.5752 6.5752 7.0797 7.0797 7.0804 7.0804 7.1802 7.1802 7.1826 7.1826 7.2985 7.2985 7.3009 7.3009 7.8191 7.8191 7.8209 7.8209 8.0379 8.0379 8.0425 8.0425 8.2803 8.2803 8.2853 8.2853 8.6185 8.6185 8.6188 8.6188 9.4129 9.4129 9.4202 9.4202 9.4477 9.4477 9.4677 9.4677 9.5413 9.5413 9.5522 9.5522 k = 0.5000 0.2887 0.7165 ( 12712 PWs) bands (ev): 0.7745 0.7745 0.7745 0.7745 0.8537 0.8537 0.8537 0.8537 1.1921 1.1921 1.1921 1.1921 4.4816 4.4816 4.4816 4.4816 4.7612 4.7612 4.7612 4.7612 5.4481 5.4481 5.4481 5.4481 6.2144 6.2144 6.2144 6.2144 6.3759 6.3759 6.3759 6.3759 6.5726 6.5726 6.5726 6.5726 7.0812 7.0812 7.0812 7.0812 7.1838 7.1838 7.1838 7.1838 7.2997 7.2997 7.2997 7.2997 7.8229 7.8229 7.8229 7.8229 8.0412 8.0412 8.0412 8.0412 8.2887 8.2887 8.2887 8.2887 8.6099 8.6099 8.6099 8.6099 9.4199 9.4199 9.4199 9.4199 9.4613 9.4613 9.4613 9.4613 9.5413 9.5413 9.5413 9.5413 k = 0.5000 0.2887 0.7165 ( 12712 PWs) bands (ev): 0.7745 0.7745 0.7745 0.7745 0.8537 0.8537 0.8537 0.8537 1.1921 1.1921 1.1921 1.1921 4.4816 4.4816 4.4816 4.4816 4.7612 4.7612 4.7612 4.7612 5.4481 5.4481 5.4481 5.4481 6.2144 6.2144 6.2144 6.2144 6.3759 6.3759 6.3759 6.3759 6.5726 6.5726 6.5726 6.5726 7.0812 7.0812 7.0812 7.0812 7.1838 7.1838 7.1838 7.1838 7.2997 7.2997 7.2997 7.2997 7.8229 7.8229 7.8229 7.8229 8.0412 8.0412 8.0412 8.0412 8.2887 8.2887 8.2887 8.2887 8.6099 8.6099 8.6099 8.6099 9.4199 9.4199 9.4199 9.4199 9.4613 9.4613 9.4613 9.4613 9.5413 9.5413 9.5413 9.5413 k = 0.4881 0.3093 0.7165 ( 12718 PWs) bands (ev): 0.7752 0.7752 0.7752 0.7752 0.8543 0.8543 0.8543 0.8543 1.1906 1.1906 1.1906 1.1906 4.4831 4.4831 4.4831 4.4831 4.7610 4.7610 4.7610 4.7610 5.4425 5.4425 5.4425 5.4425 6.2199 6.2199 6.2199 6.2199 6.3772 6.3772 6.3772 6.3772 6.5725 6.5725 6.5725 6.5725 7.0812 7.0812 7.0812 7.0812 7.1828 7.1828 7.1828 7.1828 7.3001 7.3001 7.3001 7.3001 7.8233 7.8233 7.8233 7.8233 8.0417 8.0417 8.0417 8.0417 8.2875 8.2875 8.2875 8.2875 8.6102 8.6102 8.6102 8.6102 9.4191 9.4191 9.4191 9.4191 9.4601 9.4601 9.4601 9.4601 9.5306 9.5306 9.5306 9.5306 k = 0.4762 0.3299 0.7165 ( 12714 PWs) bands (ev): 0.7773 0.7773 0.7773 0.7773 0.8559 0.8559 0.8559 0.8559 1.1860 1.1860 1.1860 1.1860 4.4872 4.4872 4.4872 4.4872 4.7604 4.7604 4.7604 4.7604 5.4263 5.4263 5.4263 5.4263 6.2356 6.2356 6.2356 6.2356 6.3811 6.3811 6.3811 6.3811 6.5723 6.5723 6.5723 6.5723 7.0813 7.0813 7.0813 7.0813 7.1799 7.1799 7.1799 7.1799 7.3012 7.3012 7.3012 7.3012 7.8246 7.8246 7.8246 7.8246 8.0434 8.0434 8.0434 8.0434 8.2837 8.2837 8.2837 8.2837 8.6112 8.6112 8.6112 8.6112 9.4163 9.4163 9.4163 9.4163 9.4550 9.4550 9.4550 9.4550 9.5075 9.5075 9.5075 9.5075 k = 0.4643 0.3505 0.7165 ( 12722 PWs) bands (ev): 0.7809 0.7809 0.7809 0.7809 0.8587 0.8587 0.8587 0.8587 1.1786 1.1786 1.1786 1.1786 4.4939 4.4939 4.4939 4.4939 4.7597 4.7597 4.7597 4.7597 5.4008 5.4008 5.4008 5.4008 6.2601 6.2601 6.2601 6.2601 6.3873 6.3873 6.3873 6.3873 6.5720 6.5720 6.5720 6.5720 7.0814 7.0814 7.0814 7.0814 7.1751 7.1751 7.1751 7.1751 7.3031 7.3031 7.3031 7.3031 7.8267 7.8267 7.8267 7.8267 8.0462 8.0462 8.0462 8.0462 8.2776 8.2776 8.2776 8.2776 8.6126 8.6126 8.6126 8.6126 9.4094 9.4094 9.4094 9.4094 9.4409 9.4409 9.4409 9.4409 9.4894 9.4894 9.4894 9.4894 k = 0.4524 0.3712 0.7165 ( 12722 PWs) bands (ev): 0.7858 0.7858 0.7858 0.7858 0.8625 0.8625 0.8625 0.8625 1.1683 1.1683 1.1683 1.1683 4.5028 4.5028 4.5028 4.5028 4.7592 4.7592 4.7592 4.7592 5.3680 5.3680 5.3680 5.3680 6.2910 6.2910 6.2910 6.2910 6.3956 6.3956 6.3956 6.3956 6.5717 6.5717 6.5717 6.5717 7.0817 7.0817 7.0817 7.0817 7.1687 7.1687 7.1687 7.1687 7.3057 7.3057 7.3057 7.3057 7.8297 7.8297 7.8297 7.8297 8.0500 8.0500 8.0500 8.0500 8.2695 8.2695 8.2695 8.2695 8.6146 8.6146 8.6146 8.6146 9.3924 9.3924 9.3924 9.3924 9.4221 9.4221 9.4221 9.4221 9.4837 9.4837 9.4837 9.4837 k = 0.4405 0.3918 0.7165 ( 12728 PWs) bands (ev): 0.7921 0.7921 0.7921 0.7921 0.8673 0.8673 0.8673 0.8673 1.1552 1.1552 1.1552 1.1552 4.5135 4.5135 4.5135 4.5135 4.7597 4.7597 4.7597 4.7597 5.3298 5.3298 5.3298 5.3298 6.3261 6.3261 6.3261 6.3261 6.4059 6.4059 6.4059 6.4059 6.5714 6.5714 6.5714 6.5714 7.0820 7.0820 7.0820 7.0820 7.1607 7.1607 7.1607 7.1607 7.3087 7.3087 7.3087 7.3087 7.8333 7.8333 7.8333 7.8333 8.0549 8.0549 8.0549 8.0549 8.2595 8.2595 8.2595 8.2595 8.6167 8.6167 8.6167 8.6167 9.3639 9.3639 9.3639 9.3639 9.4085 9.4085 9.4085 9.4085 9.4844 9.4844 9.4844 9.4844 k = 0.4286 0.4124 0.7165 ( 12720 PWs) bands (ev): 0.7997 0.7997 0.7997 0.7997 0.8730 0.8730 0.8730 0.8730 1.1396 1.1396 1.1396 1.1396 4.5251 4.5251 4.5251 4.5251 4.7617 4.7617 4.7617 4.7617 5.2878 5.2878 5.2878 5.2878 6.3629 6.3629 6.3629 6.3629 6.4179 6.4179 6.4179 6.4179 6.5713 6.5713 6.5713 6.5713 7.0824 7.0824 7.0824 7.0824 7.1516 7.1516 7.1516 7.1516 7.3122 7.3122 7.3122 7.3122 7.8375 7.8375 7.8375 7.8375 8.0608 8.0608 8.0608 8.0608 8.2480 8.2480 8.2480 8.2480 8.6189 8.6189 8.6189 8.6189 9.3333 9.3333 9.3333 9.3333 9.3961 9.3961 9.3961 9.3961 9.4878 9.4878 9.4878 9.4878 k = 0.4167 0.4330 0.7165 ( 12712 PWs) bands (ev): 0.8087 0.8087 0.8087 0.8087 0.8797 0.8797 0.8797 0.8797 1.1218 1.1218 1.1218 1.1218 4.5369 4.5369 4.5369 4.5369 4.7665 4.7665 4.7665 4.7665 5.2434 5.2434 5.2434 5.2434 6.3985 6.3985 6.3985 6.3985 6.4317 6.4317 6.4317 6.4317 6.5717 6.5717 6.5717 6.5717 7.0830 7.0830 7.0830 7.0830 7.1416 7.1416 7.1416 7.1416 7.3159 7.3159 7.3159 7.3159 7.8423 7.8423 7.8423 7.8423 8.0677 8.0677 8.0677 8.0677 8.2353 8.2353 8.2353 8.2353 8.6208 8.6208 8.6208 8.6208 9.3052 9.3052 9.3052 9.3052 9.3825 9.3825 9.3825 9.3825 9.4926 9.4926 9.4926 9.4926 k = 0.4048 0.4536 0.7165 ( 12712 PWs) bands (ev): 0.8189 0.8189 0.8189 0.8189 0.8871 0.8871 0.8871 0.8871 1.1018 1.1018 1.1018 1.1018 4.5479 4.5479 4.5479 4.5479 4.7749 4.7749 4.7749 4.7749 5.1977 5.1977 5.1977 5.1977 6.4280 6.4280 6.4280 6.4280 6.4497 6.4497 6.4497 6.4497 6.5732 6.5732 6.5732 6.5732 7.0836 7.0836 7.0836 7.0836 7.1313 7.1313 7.1313 7.1313 7.3197 7.3197 7.3197 7.3197 7.8473 7.8473 7.8473 7.8473 8.0757 8.0757 8.0757 8.0757 8.2219 8.2219 8.2219 8.2219 8.6220 8.6220 8.6220 8.6220 9.2814 9.2814 9.2814 9.2814 9.3675 9.3675 9.3675 9.3675 9.4979 9.4979 9.4979 9.4979 k = 0.3929 0.4743 0.7165 ( 12714 PWs) bands (ev): 0.8303 0.8303 0.8303 0.8303 0.8950 0.8950 0.8950 0.8950 1.0802 1.0802 1.0802 1.0802 4.5571 4.5571 4.5571 4.5571 4.7881 4.7881 4.7881 4.7881 5.1515 5.1515 5.1515 5.1515 6.4470 6.4470 6.4470 6.4470 6.4732 6.4732 6.4732 6.4732 6.5766 6.5766 6.5766 6.5766 7.0842 7.0842 7.0842 7.0842 7.1213 7.1213 7.1213 7.1213 7.3234 7.3234 7.3234 7.3234 7.8525 7.8525 7.8525 7.8525 8.0848 8.0848 8.0848 8.0848 8.2081 8.2081 8.2081 8.2081 8.6224 8.6224 8.6224 8.6224 9.2629 9.2629 9.2629 9.2629 9.3513 9.3513 9.3513 9.3513 9.5032 9.5032 9.5032 9.5032 k = 0.3810 0.4949 0.7165 ( 12706 PWs) bands (ev): 0.8429 0.8429 0.8429 0.8429 0.9031 0.9031 0.9031 0.9031 1.0575 1.0575 1.0575 1.0575 4.5640 4.5640 4.5640 4.5640 4.8067 4.8067 4.8067 4.8067 5.1055 5.1055 5.1055 5.1055 6.4606 6.4606 6.4606 6.4606 6.4942 6.4942 6.4942 6.4942 6.5829 6.5829 6.5829 6.5829 7.0844 7.0844 7.0844 7.0844 7.1124 7.1124 7.1124 7.1124 7.3268 7.3268 7.3268 7.3268 7.8576 7.8576 7.8576 7.8576 8.0949 8.0949 8.0949 8.0949 8.1942 8.1942 8.1942 8.1942 8.6217 8.6217 8.6217 8.6217 9.2502 9.2502 9.2502 9.2502 9.3345 9.3345 9.3345 9.3345 9.5082 9.5082 9.5082 9.5082 k = 0.3690 0.5155 0.7165 ( 12712 PWs) bands (ev): 0.8565 0.8565 0.8565 0.8565 0.9106 0.9106 0.9106 0.9106 1.0345 1.0345 1.0345 1.0345 4.5685 4.5685 4.5685 4.5685 4.8307 4.8307 4.8307 4.8307 5.0603 5.0603 5.0603 5.0603 6.4717 6.4717 6.4717 6.4717 6.5079 6.5079 6.5079 6.5079 6.5922 6.5922 6.5922 6.5922 7.0841 7.0841 7.0841 7.0841 7.1056 7.1056 7.1056 7.1056 7.3297 7.3297 7.3297 7.3297 7.8622 7.8622 7.8622 7.8622 8.1058 8.1058 8.1058 8.1058 8.1806 8.1806 8.1806 8.1806 8.6200 8.6200 8.6200 8.6200 9.2435 9.2435 9.2435 9.2435 9.3177 9.3177 9.3177 9.3177 9.5126 9.5126 9.5126 9.5126 k = 0.3571 0.5361 0.7165 ( 12708 PWs) bands (ev): 0.8712 0.8712 0.8712 0.8712 0.9158 0.9158 0.9158 0.9158 1.0132 1.0132 1.0132 1.0132 4.5710 4.5710 4.5710 4.5710 4.8599 4.8599 4.8599 4.8599 5.0163 5.0163 5.0163 5.0163 6.4805 6.4805 6.4805 6.4805 6.5147 6.5147 6.5147 6.5147 6.6021 6.6021 6.6021 6.6021 7.0830 7.0830 7.0830 7.0830 7.1015 7.1015 7.1015 7.1015 7.3320 7.3320 7.3320 7.3320 7.8661 7.8661 7.8661 7.8661 8.1172 8.1172 8.1172 8.1172 8.1676 8.1676 8.1676 8.1676 8.6178 8.6178 8.6178 8.6178 9.2427 9.2427 9.2427 9.2427 9.3016 9.3016 9.3016 9.3016 9.5159 9.5159 9.5159 9.5159 k = 0.3452 0.5567 0.7165 ( 12704 PWs) bands (ev): 0.8868 0.8868 0.8868 0.8868 0.9150 0.9150 0.9150 0.9150 0.9976 0.9976 0.9976 0.9976 4.5720 4.5720 4.5720 4.5720 4.8935 4.8935 4.8935 4.8935 4.9741 4.9741 4.9741 4.9741 6.4865 6.4865 6.4865 6.4865 6.5172 6.5172 6.5172 6.5172 6.6094 6.6094 6.6094 6.6094 7.0817 7.0817 7.0817 7.0817 7.0996 7.0996 7.0996 7.0996 7.3334 7.3334 7.3334 7.3334 7.8688 7.8688 7.8688 7.8688 8.1280 8.1280 8.1280 8.1280 8.1562 8.1562 8.1562 8.1562 8.6156 8.6156 8.6156 8.6156 9.2463 9.2463 9.2463 9.2463 9.2878 9.2878 9.2878 9.2878 9.5180 9.5180 9.5180 9.5180 k = 0.3333 0.5774 0.7165 ( 12696 PWs) bands (ev): 0.9016 0.9016 0.9016 0.9016 0.9054 0.9054 0.9054 0.9054 0.9921 0.9921 0.9921 0.9921 4.5723 4.5723 4.5723 4.5723 4.9241 4.9241 4.9241 4.9241 4.9406 4.9406 4.9406 4.9406 6.4888 6.4888 6.4888 6.4888 6.5177 6.5177 6.5177 6.5177 6.6120 6.6120 6.6120 6.6120 7.0812 7.0812 7.0812 7.0812 7.0992 7.0992 7.0992 7.0992 7.3339 7.3339 7.3339 7.3339 7.8698 7.8698 7.8698 7.8698 8.1340 8.1340 8.1340 8.1340 8.1501 8.1501 8.1501 8.1501 8.6146 8.6146 8.6146 8.6146 9.2496 9.2496 9.2496 9.2496 9.2811 9.2811 9.2811 9.2811 9.5188 9.5188 9.5188 9.5188 k = 0.3333 0.5774 0.7165 ( 12696 PWs) bands (ev): 0.9016 0.9016 0.9016 0.9016 0.9054 0.9054 0.9054 0.9054 0.9921 0.9921 0.9921 0.9921 4.5723 4.5723 4.5723 4.5723 4.9241 4.9241 4.9241 4.9241 4.9406 4.9406 4.9406 4.9406 6.4888 6.4888 6.4888 6.4888 6.5177 6.5177 6.5177 6.5177 6.6120 6.6120 6.6120 6.6120 7.0812 7.0812 7.0812 7.0812 7.0992 7.0992 7.0992 7.0992 7.3339 7.3339 7.3339 7.3339 7.8698 7.8698 7.8698 7.8698 8.1340 8.1340 8.1340 8.1340 8.1501 8.1501 8.1501 8.1501 8.6146 8.6146 8.6146 8.6146 9.2496 9.2496 9.2496 9.2496 9.2811 9.2811 9.2811 9.2811 9.5188 9.5188 9.5188 9.5188 k = 0.3210 0.5560 0.7165 ( 12708 PWs) bands (ev): 0.8814 0.8814 0.8814 0.8814 0.9216 0.9216 0.9216 0.9216 0.9965 0.9965 0.9965 0.9965 4.5722 4.5722 4.5722 4.5722 4.8914 4.8914 4.8914 4.8914 4.9763 4.9763 4.9763 4.9763 6.4860 6.4860 6.4860 6.4860 6.5175 6.5175 6.5175 6.5175 6.6093 6.6093 6.6093 6.6093 7.0816 7.0816 7.0816 7.0816 7.0996 7.0996 7.0996 7.0996 7.3334 7.3334 7.3334 7.3334 7.8686 7.8686 7.8686 7.8686 8.1286 8.1286 8.1286 8.1286 8.1552 8.1552 8.1552 8.1552 8.6162 8.6162 8.6162 8.6162 9.2448 9.2448 9.2448 9.2448 9.2894 9.2894 9.2894 9.2894 9.5180 9.5180 9.5180 9.5180 k = 0.3086 0.5346 0.7165 ( 12700 PWs) bands (ev): 0.8536 0.8536 0.8536 0.8536 0.9403 0.9403 0.9403 0.9403 1.0067 1.0067 1.0067 1.0067 4.5724 4.5724 4.5724 4.5724 4.8540 4.8540 4.8540 4.8540 5.0222 5.0222 5.0222 5.0222 6.4776 6.4776 6.4776 6.4776 6.5168 6.5168 6.5168 6.5168 6.6018 6.6018 6.6018 6.6018 7.0817 7.0817 7.0817 7.0817 7.1010 7.1010 7.1010 7.1010 7.3317 7.3317 7.3317 7.3317 7.8644 7.8644 7.8644 7.8644 8.1204 8.1204 8.1204 8.1204 8.1619 8.1619 8.1619 8.1619 8.6220 8.6220 8.6220 8.6220 9.2358 9.2358 9.2358 9.2358 9.3084 9.3084 9.3084 9.3084 9.5155 9.5155 9.5155 9.5155 k = 0.2963 0.5132 0.7165 ( 12708 PWs) bands (ev): 0.8231 0.8231 0.8231 0.8231 0.9596 0.9596 0.9596 0.9596 1.0197 1.0197 1.0197 1.0197 4.5732 4.5732 4.5732 4.5732 4.8191 4.8191 4.8191 4.8191 5.0711 5.0711 5.0711 5.0711 6.4631 6.4631 6.4631 6.4631 6.5152 6.5152 6.5152 6.5152 6.5912 6.5912 6.5912 6.5912 7.0801 7.0801 7.0801 7.0801 7.1038 7.1038 7.1038 7.1038 7.3288 7.3288 7.3288 7.3288 7.8572 7.8572 7.8572 7.8572 8.1130 8.1130 8.1130 8.1130 8.1655 8.1655 8.1655 8.1655 8.6334 8.6334 8.6334 8.6334 9.2276 9.2276 9.2276 9.2276 9.3327 9.3327 9.3327 9.3327 9.5115 9.5115 9.5115 9.5115 k = 0.2840 0.4918 0.7165 ( 12720 PWs) bands (ev): 0.7913 0.7913 0.7913 0.7913 0.9795 0.9795 0.9795 0.9795 1.0342 1.0342 1.0342 1.0342 4.5748 4.5748 4.5748 4.5748 4.7869 4.7869 4.7869 4.7869 5.1224 5.1224 5.1224 5.1224 6.4423 6.4423 6.4423 6.4423 6.5120 6.5120 6.5120 6.5120 6.5796 6.5796 6.5796 6.5796 7.0761 7.0761 7.0761 7.0761 7.1076 7.1076 7.1076 7.1076 7.3248 7.3248 7.3248 7.3248 7.8466 7.8466 7.8466 7.8466 8.1065 8.1065 8.1065 8.1065 8.1647 8.1647 8.1647 8.1647 8.6512 8.6512 8.6512 8.6512 9.2213 9.2213 9.2213 9.2213 9.3598 9.3598 9.3598 9.3598 9.5061 9.5061 9.5061 9.5061 k = 0.2716 0.4704 0.7165 ( 12736 PWs) bands (ev): 0.7589 0.7589 0.7589 0.7589 0.9998 0.9998 0.9998 0.9998 1.0497 1.0497 1.0497 1.0497 4.5777 4.5777 4.5777 4.5777 4.7577 4.7577 4.7577 4.7577 5.1759 5.1759 5.1759 5.1759 6.4148 6.4148 6.4148 6.4148 6.5071 6.5071 6.5071 6.5071 6.5684 6.5684 6.5684 6.5684 7.0694 7.0694 7.0694 7.0694 7.1116 7.1116 7.1116 7.1116 7.3197 7.3197 7.3197 7.3197 7.8330 7.8330 7.8330 7.8330 8.1005 8.1005 8.1005 8.1005 8.1592 8.1592 8.1592 8.1592 8.6755 8.6755 8.6755 8.6755 9.2174 9.2174 9.2174 9.2174 9.3883 9.3883 9.3883 9.3883 9.4997 9.4997 9.4997 9.4997 k = 0.2593 0.4491 0.7165 ( 12744 PWs) bands (ev): 0.7263 0.7263 0.7263 0.7263 1.0204 1.0204 1.0204 1.0204 1.0659 1.0659 1.0659 1.0659 4.5817 4.5817 4.5817 4.5817 4.7316 4.7316 4.7316 4.7316 5.2310 5.2310 5.2310 5.2310 6.3810 6.3810 6.3810 6.3810 6.5006 6.5006 6.5006 6.5006 6.5584 6.5584 6.5584 6.5584 7.0602 7.0602 7.0602 7.0602 7.1150 7.1150 7.1150 7.1150 7.3136 7.3136 7.3136 7.3136 7.8167 7.8167 7.8167 7.8167 8.0945 8.0945 8.0945 8.0945 8.1494 8.1494 8.1494 8.1494 8.7058 8.7058 8.7058 8.7058 9.2159 9.2159 9.2159 9.2159 9.4163 9.4163 9.4163 9.4163 9.4929 9.4929 9.4929 9.4929 k = 0.2469 0.4277 0.7165 ( 12732 PWs) bands (ev): 0.6939 0.6939 0.6939 0.6939 1.0411 1.0411 1.0411 1.0411 1.0824 1.0824 1.0824 1.0824 4.5872 4.5872 4.5872 4.5872 4.7089 4.7089 4.7089 4.7089 5.2878 5.2878 5.2878 5.2878 6.3416 6.3416 6.3416 6.3416 6.4923 6.4923 6.4923 6.4923 6.5496 6.5496 6.5496 6.5496 7.0484 7.0484 7.0484 7.0484 7.1173 7.1173 7.1173 7.1173 7.3065 7.3065 7.3065 7.3065 7.7985 7.7985 7.7985 7.7985 8.0877 8.0877 8.0877 8.0877 8.1360 8.1360 8.1360 8.1360 8.7410 8.7410 8.7410 8.7410 9.2168 9.2168 9.2168 9.2168 9.4405 9.4405 9.4405 9.4405 9.4877 9.4877 9.4877 9.4877 k = 0.2346 0.4063 0.7165 ( 12724 PWs) bands (ev): 0.6620 0.6620 0.6620 0.6620 1.0619 1.0619 1.0619 1.0619 1.0992 1.0992 1.0992 1.0992 4.5940 4.5940 4.5940 4.5940 4.6895 4.6895 4.6895 4.6895 5.3458 5.3458 5.3458 5.3458 6.2976 6.2976 6.2976 6.2976 6.4825 6.4825 6.4825 6.4825 6.5418 6.5418 6.5418 6.5418 7.0340 7.0340 7.0340 7.0340 7.1184 7.1184 7.1184 7.1184 7.2984 7.2984 7.2984 7.2984 7.7790 7.7790 7.7790 7.7790 8.0792 8.0792 8.0792 8.0792 8.1201 8.1201 8.1201 8.1201 8.7798 8.7798 8.7798 8.7798 9.2198 9.2198 9.2198 9.2198 9.4534 9.4534 9.4534 9.4534 9.4898 9.4898 9.4898 9.4898 k = 0.2222 0.3849 0.7165 ( 12720 PWs) bands (ev): 0.6306 0.6306 0.6306 0.6306 1.0825 1.0825 1.0825 1.0825 1.1160 1.1160 1.1160 1.1160 4.6022 4.6022 4.6022 4.6022 4.6737 4.6737 4.6737 4.6737 5.4048 5.4048 5.4048 5.4048 6.2499 6.2499 6.2499 6.2499 6.4711 6.4711 6.4711 6.4711 6.5347 6.5347 6.5347 6.5347 7.0171 7.0171 7.0171 7.0171 7.1182 7.1182 7.1182 7.1182 7.2893 7.2893 7.2893 7.2893 7.7588 7.7588 7.7588 7.7588 8.0683 8.0683 8.0683 8.0683 8.1029 8.1029 8.1029 8.1029 8.8210 8.8210 8.8210 8.8210 9.2247 9.2247 9.2247 9.2247 9.4518 9.4518 9.4518 9.4518 9.5005 9.5005 9.5005 9.5005 k = 0.2099 0.3635 0.7165 ( 12724 PWs) bands (ev): 0.6001 0.6001 0.6001 0.6001 1.1029 1.1029 1.1029 1.1029 1.1328 1.1328 1.1328 1.1328 4.6115 4.6115 4.6115 4.6115 4.6617 4.6617 4.6617 4.6617 5.4648 5.4648 5.4648 5.4648 6.1991 6.1991 6.1991 6.1991 6.4582 6.4582 6.4582 6.4582 6.5284 6.5284 6.5284 6.5284 6.9980 6.9980 6.9980 6.9980 7.1166 7.1166 7.1166 7.1166 7.2790 7.2790 7.2790 7.2790 7.7385 7.7385 7.7385 7.7385 8.0545 8.0545 8.0545 8.0545 8.0854 8.0854 8.0854 8.0854 8.8634 8.8634 8.8634 8.8634 9.2312 9.2312 9.2312 9.2312 9.4443 9.4443 9.4443 9.4443 9.5093 9.5093 9.5093 9.5093 k = 0.1975 0.3421 0.7165 ( 12732 PWs) bands (ev): 0.5706 0.5706 0.5706 0.5706 1.1229 1.1229 1.1229 1.1229 1.1493 1.1493 1.1493 1.1493 4.6216 4.6216 4.6216 4.6216 4.6538 4.6538 4.6538 4.6538 5.5254 5.5254 5.5254 5.5254 6.1459 6.1459 6.1459 6.1459 6.4437 6.4437 6.4437 6.4437 6.5226 6.5226 6.5226 6.5226 6.9768 6.9768 6.9768 6.9768 7.1138 7.1138 7.1138 7.1138 7.2677 7.2677 7.2677 7.2677 7.7188 7.7188 7.7188 7.7188 8.0375 8.0375 8.0375 8.0375 8.0680 8.0680 8.0680 8.0680 8.9060 8.9060 8.9060 8.9060 9.2389 9.2389 9.2389 9.2389 9.4355 9.4355 9.4355 9.4355 9.5111 9.5111 9.5111 9.5111 k = 0.1852 0.3208 0.7165 ( 12722 PWs) bands (ev): 0.5422 0.5422 0.5422 0.5422 1.1424 1.1424 1.1424 1.1424 1.1656 1.1656 1.1656 1.1656 4.6309 4.6309 4.6309 4.6309 4.6515 4.6515 4.6515 4.6515 5.5865 5.5865 5.5865 5.5865 6.0908 6.0908 6.0908 6.0908 6.4278 6.4278 6.4278 6.4278 6.5174 6.5174 6.5174 6.5174 6.9538 6.9538 6.9538 6.9538 7.1098 7.1098 7.1098 7.1098 7.2551 7.2551 7.2551 7.2551 7.7000 7.7000 7.7000 7.7000 8.0184 8.0184 8.0184 8.0184 8.0506 8.0506 8.0506 8.0506 8.9477 8.9477 8.9477 8.9477 9.2474 9.2474 9.2474 9.2474 9.4265 9.4265 9.4265 9.4265 9.5053 9.5053 9.5053 9.5053 k = 0.1728 0.2994 0.7165 ( 12730 PWs) bands (ev): 0.5151 0.5151 0.5151 0.5151 1.1613 1.1613 1.1613 1.1613 1.1814 1.1814 1.1814 1.1814 4.6366 4.6366 4.6366 4.6366 4.6575 4.6575 4.6575 4.6575 5.6478 5.6478 5.6478 5.6478 6.0344 6.0344 6.0344 6.0344 6.4107 6.4107 6.4107 6.4107 6.5127 6.5127 6.5127 6.5127 6.9294 6.9294 6.9294 6.9294 7.1048 7.1048 7.1048 7.1048 7.2412 7.2412 7.2412 7.2412 7.6823 7.6823 7.6823 7.6823 7.9980 7.9980 7.9980 7.9980 8.0329 8.0329 8.0329 8.0329 8.9880 8.9880 8.9880 8.9880 9.2561 9.2561 9.2561 9.2561 9.4180 9.4180 9.4180 9.4180 9.4932 9.4932 9.4932 9.4932 k = 0.1605 0.2780 0.7165 ( 12746 PWs) bands (ev): 0.4893 0.4893 0.4893 0.4893 1.1794 1.1794 1.1794 1.1794 1.1967 1.1967 1.1967 1.1967 4.6406 4.6406 4.6406 4.6406 4.6697 4.6697 4.6697 4.6697 5.7091 5.7091 5.7091 5.7091 5.9770 5.9770 5.9770 5.9770 6.3925 6.3925 6.3925 6.3925 6.5084 6.5084 6.5084 6.5084 6.9039 6.9039 6.9039 6.9039 7.0990 7.0990 7.0990 7.0990 7.2260 7.2260 7.2260 7.2260 7.6661 7.6661 7.6661 7.6661 7.9773 7.9773 7.9773 7.9773 8.0145 8.0145 8.0145 8.0145 9.0263 9.0263 9.0263 9.0263 9.2646 9.2646 9.2646 9.2646 9.4103 9.4103 9.4103 9.4103 9.4771 9.4771 9.4771 9.4771 k = 0.1481 0.2566 0.7165 ( 12738 PWs) bands (ev): 0.4651 0.4651 0.4651 0.4651 1.1966 1.1966 1.1966 1.1966 1.2114 1.2114 1.2114 1.2114 4.6463 4.6463 4.6463 4.6463 4.6844 4.6844 4.6844 4.6844 5.7700 5.7700 5.7700 5.7700 5.9192 5.9192 5.9192 5.9192 6.3735 6.3735 6.3735 6.3735 6.5046 6.5046 6.5046 6.5046 6.8776 6.8776 6.8776 6.8776 7.0926 7.0926 7.0926 7.0926 7.2095 7.2095 7.2095 7.2095 7.6514 7.6514 7.6514 7.6514 7.9569 7.9569 7.9569 7.9569 7.9956 7.9956 7.9956 7.9956 9.0621 9.0621 9.0621 9.0621 9.2721 9.2721 9.2721 9.2721 9.4036 9.4036 9.4036 9.4036 9.4592 9.4592 9.4592 9.4592 k = 0.1358 0.2352 0.7165 ( 12734 PWs) bands (ev): 0.4424 0.4424 0.4424 0.4424 1.2128 1.2128 1.2128 1.2128 1.2253 1.2253 1.2253 1.2253 4.6547 4.6547 4.6547 4.6547 4.7003 4.7003 4.7003 4.7003 5.8291 5.8291 5.8291 5.8291 5.8625 5.8625 5.8625 5.8625 6.3542 6.3542 6.3542 6.3542 6.5012 6.5012 6.5012 6.5012 6.8508 6.8508 6.8508 6.8508 7.0857 7.0857 7.0857 7.0857 7.1919 7.1919 7.1919 7.1919 7.6382 7.6382 7.6382 7.6382 7.9371 7.9371 7.9371 7.9371 7.9766 7.9766 7.9766 7.9766 9.0951 9.0951 9.0951 9.0951 9.2781 9.2781 9.2781 9.2781 9.3977 9.3977 9.3977 9.3977 9.4417 9.4417 9.4417 9.4417 k = 0.1235 0.2138 0.7165 ( 12730 PWs) bands (ev): 0.4214 0.4214 0.4214 0.4214 1.2280 1.2280 1.2280 1.2280 1.2384 1.2384 1.2384 1.2384 4.6658 4.6658 4.6658 4.6658 4.7169 4.7169 4.7169 4.7169 5.8025 5.8025 5.8025 5.8025 5.8909 5.8909 5.8909 5.8909 6.3352 6.3352 6.3352 6.3352 6.4982 6.4982 6.4982 6.4982 6.8236 6.8236 6.8236 6.8236 7.0784 7.0784 7.0784 7.0784 7.1732 7.1732 7.1732 7.1732 7.6264 7.6264 7.6264 7.6264 7.9182 7.9182 7.9182 7.9182 7.9577 7.9577 7.9577 7.9577 9.1252 9.1252 9.1252 9.1252 9.2822 9.2822 9.2822 9.2822 9.3912 9.3912 9.3912 9.3912 9.4274 9.4274 9.4274 9.4274 k = 0.1111 0.1925 0.7165 ( 12734 PWs) bands (ev): 0.4022 0.4022 0.4022 0.4022 1.2419 1.2419 1.2419 1.2419 1.2506 1.2506 1.2506 1.2506 4.6795 4.6795 4.6795 4.6795 4.7337 4.7337 4.7337 4.7337 5.7461 5.7461 5.7461 5.7461 5.9481 5.9481 5.9481 5.9481 6.3172 6.3172 6.3172 6.3172 6.4956 6.4956 6.4956 6.4956 6.7960 6.7960 6.7960 6.7960 7.0711 7.0711 7.0711 7.0711 7.1538 7.1538 7.1538 7.1538 7.6160 7.6160 7.6160 7.6160 7.9004 7.9004 7.9004 7.9004 7.9396 7.9396 7.9396 7.9396 9.1523 9.1523 9.1523 9.1523 9.2844 9.2844 9.2844 9.2844 9.3813 9.3813 9.3813 9.3813 9.4196 9.4196 9.4196 9.4196 k = 0.0988 0.1711 0.7165 ( 12734 PWs) bands (ev): 0.3848 0.3848 0.3848 0.3848 1.2546 1.2546 1.2546 1.2546 1.2618 1.2618 1.2618 1.2618 4.6953 4.6953 4.6953 4.6953 4.7504 4.7504 4.7504 4.7504 5.6910 5.6910 5.6910 5.6910 6.0027 6.0027 6.0027 6.0027 6.3017 6.3017 6.3017 6.3017 6.4934 6.4934 6.4934 6.4934 6.7680 6.7680 6.7680 6.7680 7.0639 7.0639 7.0639 7.0639 7.1340 7.1340 7.1340 7.1340 7.6070 7.6070 7.6070 7.6070 7.8839 7.8839 7.8839 7.8839 7.9225 7.9225 7.9225 7.9225 9.1762 9.1762 9.1762 9.1762 9.2848 9.2848 9.2848 9.2848 9.3684 9.3684 9.3684 9.3684 9.4184 9.4184 9.4184 9.4184 k = 0.0864 0.1497 0.7165 ( 12744 PWs) bands (ev): 0.3693 0.3693 0.3693 0.3693 1.2659 1.2659 1.2659 1.2659 1.2719 1.2719 1.2719 1.2719 4.7128 4.7128 4.7128 4.7128 4.7669 4.7669 4.7669 4.7669 5.6380 5.6380 5.6380 5.6380 6.0523 6.0523 6.0523 6.0523 6.2910 6.2910 6.2910 6.2910 6.4915 6.4915 6.4915 6.4915 6.7395 6.7395 6.7395 6.7395 7.0570 7.0570 7.0570 7.0570 7.1143 7.1143 7.1143 7.1143 7.5991 7.5991 7.5991 7.5991 7.8689 7.8689 7.8689 7.8689 7.9068 7.9068 7.9068 7.9068 9.1968 9.1968 9.1968 9.1968 9.2840 9.2840 9.2840 9.2840 9.3548 9.3548 9.3548 9.3548 9.4209 9.4209 9.4209 9.4209 k = 0.0741 0.1283 0.7165 ( 12736 PWs) bands (ev): 0.3558 0.3558 0.3558 0.3558 1.2757 1.2757 1.2757 1.2757 1.2808 1.2808 1.2808 1.2808 4.7312 4.7312 4.7312 4.7312 4.7827 4.7827 4.7827 4.7827 5.5879 5.5879 5.5879 5.5879 6.0934 6.0934 6.0934 6.0934 6.2890 6.2890 6.2890 6.2890 6.4900 6.4900 6.4900 6.4900 6.7100 6.7100 6.7100 6.7100 7.0506 7.0506 7.0506 7.0506 7.0952 7.0952 7.0952 7.0952 7.5923 7.5923 7.5923 7.5923 7.8555 7.8555 7.8555 7.8555 7.8929 7.8929 7.8929 7.8929 9.2142 9.2142 9.2142 9.2142 9.2827 9.2827 9.2827 9.2827 9.3423 9.3423 9.3423 9.3423 9.4251 9.4251 9.4251 9.4251 k = 0.0617 0.1069 0.7165 ( 12738 PWs) bands (ev): 0.3443 0.3443 0.3443 0.3443 1.2841 1.2841 1.2841 1.2841 1.2886 1.2886 1.2886 1.2886 4.7495 4.7495 4.7495 4.7495 4.7978 4.7978 4.7978 4.7978 5.5417 5.5417 5.5417 5.5417 6.1211 6.1211 6.1211 6.1211 6.3007 6.3007 6.3007 6.3007 6.4888 6.4888 6.4888 6.4888 6.6792 6.6792 6.6792 6.6792 7.0448 7.0448 7.0448 7.0448 7.0775 7.0775 7.0775 7.0775 7.5867 7.5867 7.5867 7.5867 7.8439 7.8439 7.8439 7.8439 7.8809 7.8809 7.8809 7.8809 9.2282 9.2282 9.2282 9.2282 9.2813 9.2813 9.2813 9.2813 9.3314 9.3314 9.3314 9.3314 9.4298 9.4298 9.4298 9.4298 k = 0.0494 0.0855 0.7165 ( 12746 PWs) bands (ev): 0.3348 0.3348 0.3348 0.3348 1.2910 1.2910 1.2910 1.2910 1.2951 1.2951 1.2951 1.2951 4.7665 4.7665 4.7665 4.7665 4.8118 4.8118 4.8118 4.8118 5.5007 5.5007 5.5007 5.5007 6.1343 6.1343 6.1343 6.1343 6.3274 6.3274 6.3274 6.3274 6.4879 6.4879 6.4879 6.4879 6.6467 6.6467 6.6467 6.6467 7.0398 7.0398 7.0398 7.0398 7.0617 7.0617 7.0617 7.0617 7.5820 7.5820 7.5820 7.5820 7.8342 7.8342 7.8342 7.8342 7.8710 7.8710 7.8710 7.8710 9.2387 9.2387 9.2387 9.2387 9.2803 9.2803 9.2803 9.2803 9.3226 9.3226 9.3226 9.3226 9.4344 9.4344 9.4344 9.4344 k = 0.0370 0.0642 0.7165 ( 12758 PWs) bands (ev): 0.3274 0.3274 0.3274 0.3274 1.2964 1.2964 1.2964 1.2964 1.3002 1.3002 1.3002 1.3002 4.7809 4.7809 4.7809 4.7809 4.8244 4.8244 4.8244 4.8244 5.4662 5.4662 5.4662 5.4662 6.1375 6.1375 6.1375 6.1375 6.3648 6.3648 6.3648 6.3648 6.4872 6.4872 6.4872 6.4872 6.6122 6.6122 6.6122 6.6122 7.0357 7.0357 7.0357 7.0357 7.0487 7.0487 7.0487 7.0487 7.5784 7.5784 7.5784 7.5784 7.8264 7.8264 7.8264 7.8264 7.8633 7.8633 7.8633 7.8633 9.2459 9.2459 9.2459 9.2459 9.2801 9.2801 9.2801 9.2801 9.3160 9.3160 9.3160 9.3160 9.4383 9.4383 9.4383 9.4383 k = 0.0247 0.0428 0.7165 ( 12762 PWs) bands (ev): 0.3221 0.3221 0.3221 0.3221 1.3002 1.3002 1.3002 1.3002 1.3039 1.3039 1.3039 1.3039 4.7917 4.7917 4.7917 4.7917 4.8349 4.8349 4.8349 4.8349 5.4398 5.4398 5.4398 5.4398 6.1365 6.1365 6.1365 6.1365 6.4070 6.4070 6.4070 6.4070 6.4867 6.4867 6.4867 6.4867 6.5754 6.5754 6.5754 6.5754 7.0326 7.0326 7.0326 7.0326 7.0390 7.0390 7.0390 7.0390 7.5758 7.5758 7.5758 7.5758 7.8209 7.8209 7.8209 7.8209 7.8578 7.8578 7.8578 7.8578 9.2501 9.2501 9.2501 9.2501 9.2804 9.2804 9.2804 9.2804 9.3115 9.3115 9.3115 9.3115 9.4413 9.4413 9.4413 9.4413 k = 0.0123 0.0214 0.7165 ( 12744 PWs) bands (ev): 0.3189 0.3189 0.3189 0.3189 1.3024 1.3024 1.3024 1.3024 1.3061 1.3061 1.3061 1.3061 4.7983 4.7983 4.7983 4.7983 4.8419 4.8419 4.8419 4.8419 5.4231 5.4231 5.4231 5.4231 6.1349 6.1349 6.1349 6.1349 6.4501 6.4501 6.4501 6.4501 6.4865 6.4865 6.4865 6.4865 6.5365 6.5365 6.5365 6.5365 7.0304 7.0304 7.0304 7.0304 7.0333 7.0333 7.0333 7.0333 7.5743 7.5743 7.5743 7.5743 7.8175 7.8175 7.8175 7.8175 7.8545 7.8545 7.8545 7.8545 9.2521 9.2521 9.2521 9.2521 9.2808 9.2808 9.2808 9.2808 9.3091 9.3091 9.3091 9.3091 9.4432 9.4432 9.4432 9.4432 k = 0.0000 0.0000 0.7165 ( 12756 PWs) bands (ev): 0.3178 0.3178 0.3178 0.3178 1.3032 1.3032 1.3032 1.3032 1.3069 1.3069 1.3069 1.3069 4.8005 4.8005 4.8005 4.8005 4.8445 4.8445 4.8445 4.8445 5.4174 5.4174 5.4174 5.4174 6.1342 6.1342 6.1342 6.1342 6.4822 6.4822 6.4822 6.4822 6.4903 6.4903 6.4903 6.4903 6.5022 6.5022 6.5022 6.5022 7.0293 7.0293 7.0293 7.0293 7.0317 7.0317 7.0317 7.0317 7.5738 7.5738 7.5738 7.5738 7.8164 7.8164 7.8164 7.8164 7.8533 7.8533 7.8533 7.8533 9.2527 9.2527 9.2527 9.2527 9.2809 9.2809 9.2809 9.2809 9.3083 9.3083 9.3083 9.3083 9.4439 9.4439 9.4439 9.4439 k = 0.5000 0.2887 0.7165 ( 12712 PWs) bands (ev): 0.7745 0.7745 0.7745 0.7745 0.8537 0.8537 0.8537 0.8537 1.1921 1.1921 1.1921 1.1921 4.4816 4.4816 4.4816 4.4816 4.7612 4.7612 4.7612 4.7612 5.4481 5.4481 5.4481 5.4481 6.2144 6.2144 6.2144 6.2144 6.3759 6.3759 6.3759 6.3759 6.5726 6.5726 6.5726 6.5726 7.0812 7.0812 7.0812 7.0812 7.1838 7.1838 7.1838 7.1838 7.2997 7.2997 7.2997 7.2997 7.8229 7.8229 7.8229 7.8229 8.0412 8.0412 8.0412 8.0412 8.2887 8.2887 8.2887 8.2887 8.6099 8.6099 8.6099 8.6099 9.4199 9.4199 9.4199 9.4199 9.4613 9.4613 9.4613 9.4613 9.5413 9.5413 9.5413 9.5413 k = 0.5000 0.2887 0.6909 ( 12710 PWs) bands (ev): 0.7130 0.7130 0.8176 0.8176 0.8370 0.8370 0.8854 0.8854 1.1811 1.1811 1.2064 1.2064 4.4645 4.4645 4.4919 4.4919 4.7580 4.7580 4.7750 4.7750 5.4124 5.4124 5.4819 5.4819 6.1996 6.1996 6.2303 6.2303 6.3561 6.3561 6.3974 6.3974 6.5586 6.5586 6.5863 6.5863 7.0423 7.0423 7.1175 7.1175 7.1262 7.1262 7.2432 7.2432 7.2847 7.2847 7.3112 7.3112 7.8153 7.8153 7.8270 7.8270 8.0109 8.0109 8.0707 8.0707 8.2671 8.2671 8.3139 8.3139 8.5671 8.5671 8.6519 8.6519 9.3752 9.3752 9.4231 9.4231 9.4567 9.4567 9.4904 9.4904 9.5128 9.5128 9.5672 9.5672 k = 0.5000 0.2887 0.6653 ( 12710 PWs) bands (ev): 0.6525 0.6525 0.7788 0.7788 0.9002 0.9002 0.9104 0.9104 1.1758 1.1758 1.2224 1.2224 4.4425 4.4425 4.4952 4.4952 4.7633 4.7633 4.7995 4.7995 5.3753 5.3753 5.5130 5.5130 6.1861 6.1861 6.2470 6.2470 6.3382 6.3382 6.4200 6.4200 6.5446 6.5446 6.5999 6.5999 7.0030 7.0030 7.0657 7.0657 7.1560 7.1560 7.2672 7.2672 7.2997 7.2997 7.3202 7.3202 7.8045 7.8045 7.8276 7.8276 7.9804 7.9804 8.0990 8.0990 8.2486 8.2486 8.3428 8.3428 8.5248 8.5248 8.6915 8.6915 9.3230 9.3230 9.3873 9.3873 9.4513 9.4513 9.4973 9.4973 9.5185 9.5185 9.5874 9.5874 k = 0.5000 0.2887 0.6397 ( 12710 PWs) bands (ev): 0.5933 0.5933 0.7383 0.7383 0.9262 0.9262 0.9641 0.9641 1.1784 1.1784 1.2390 1.2390 4.4179 4.4179 4.4931 4.4931 4.7743 4.7743 4.8331 4.8331 5.3375 5.3375 5.5407 5.5407 6.1738 6.1738 6.2641 6.2641 6.3229 6.3229 6.4433 6.4433 6.5309 6.5309 6.6132 6.6132 6.9638 6.9638 7.0095 7.0095 7.1887 7.1887 7.2493 7.2493 7.3165 7.3165 7.3614 7.3614 7.7910 7.7910 7.8250 7.8250 7.9501 7.9501 8.1251 8.1251 8.2329 8.2329 8.3756 8.3756 8.4847 8.4847 8.7272 8.7272 9.2674 9.2674 9.3488 9.3488 9.4064 9.4064 9.5027 9.5027 9.5268 9.5268 9.5778 9.5778 k = 0.5000 0.2887 0.6141 ( 12720 PWs) bands (ev): 0.5355 0.5355 0.6969 0.6969 0.9317 0.9317 1.0284 1.0284 1.1902 1.1902 1.2556 1.2556 4.3930 4.3930 4.4879 4.4879 4.7887 4.7887 4.8736 4.8736 5.2994 5.2994 5.5646 5.5646 6.1625 6.1625 6.2807 6.2807 6.3108 6.3108 6.4669 6.4669 6.5178 6.5178 6.6265 6.6265 6.9250 6.9250 6.9563 6.9563 7.2070 7.2070 7.2421 7.2421 7.3121 7.3121 7.4144 7.4144 7.7753 7.7753 7.8198 7.8198 7.9202 7.9202 8.1482 8.1482 8.2194 8.2194 8.4122 8.4122 8.4485 8.4485 8.7571 8.7571 9.2107 9.2107 9.3073 9.3073 9.3514 9.3514 9.4841 9.4841 9.5147 9.5147 9.5767 9.5767 k = 0.5000 0.2887 0.5885 ( 12716 PWs) bands (ev): 0.4791 0.4791 0.6552 0.6552 0.9276 0.9276 1.0929 1.0929 1.2103 1.2103 1.2715 1.2715 4.3691 4.3691 4.4819 4.4819 4.8045 4.8045 4.9187 4.9187 5.2615 5.2615 5.5841 5.5841 6.1515 6.1515 6.2940 6.2940 6.3042 6.3042 6.4902 6.4902 6.5065 6.5065 6.6401 6.6401 6.8868 6.8868 6.9073 6.9073 7.1946 7.1946 7.2616 7.2616 7.3004 7.3004 7.4630 7.4630 7.7582 7.7582 7.8126 7.8126 7.8912 7.8912 8.1671 8.1671 8.2079 8.2079 8.4169 8.4169 8.4534 8.4534 8.7792 8.7792 9.1548 9.1548 9.2614 9.2614 9.2932 9.2932 9.4471 9.4471 9.5027 9.5027 9.5867 9.5867 k = 0.5000 0.2887 0.5629 ( 12708 PWs) bands (ev): 0.4243 0.4243 0.6136 0.6136 0.9165 0.9165 1.1575 1.1575 1.2362 1.2362 1.2865 1.2865 4.3474 4.3474 4.4766 4.4766 4.8205 4.8205 4.9666 4.9666 5.2243 5.2243 5.5991 5.5991 6.1400 6.1400 6.2934 6.2934 6.3130 6.3130 6.4953 6.4953 6.5153 6.5153 6.6545 6.6545 6.8492 6.8492 6.8634 6.8634 7.1740 7.1740 7.2788 7.2788 7.2879 7.2879 7.5051 7.5051 7.7404 7.7404 7.8040 7.8040 7.8631 7.8631 8.1808 8.1808 8.1981 8.1981 8.3937 8.3937 8.4967 8.4967 8.7915 8.7915 9.1007 9.1007 9.2096 9.2096 9.2354 9.2354 9.4100 9.4100 9.4882 9.4882 9.5965 9.5965 k = 0.5000 0.2887 0.5373 ( 12704 PWs) bands (ev): 0.3713 0.3713 0.5725 0.5725 0.9007 0.9007 1.2219 1.2219 1.2655 1.2655 1.3002 1.3002 4.3283 4.3283 4.4731 4.4731 4.8359 4.8359 5.0158 5.0158 5.1881 5.1881 5.6096 5.6096 6.1269 6.1269 6.2915 6.2915 6.3234 6.3234 6.4891 6.4891 6.5381 6.5381 6.6703 6.6703 6.8127 6.8127 6.8252 6.8252 7.1527 7.1527 7.2550 7.2550 7.3062 7.3062 7.5386 7.5386 7.7228 7.7228 7.7947 7.7947 7.8362 7.8362 8.1884 8.1884 8.1908 8.1908 8.3787 8.3787 8.5427 8.5427 8.7927 8.7927 9.0494 9.0494 9.1525 9.1525 9.1790 9.1790 9.3762 9.3762 9.4735 9.4735 9.6052 9.6052 k = 0.5000 0.2887 0.5118 ( 12708 PWs) bands (ev): 0.3200 0.3200 0.5321 0.5321 0.8819 0.8819 1.2858 1.2858 1.2964 1.2964 1.3126 1.3126 4.3122 4.3122 4.4723 4.4723 4.8501 4.8501 5.0651 5.0651 5.1532 5.1532 5.6158 5.6158 6.1109 6.1109 6.2924 6.2924 6.3297 6.3297 6.4871 6.4871 6.5606 6.5606 6.6881 6.6881 6.7791 6.7791 6.7917 6.7917 7.1316 7.1316 7.2231 7.2231 7.3212 7.3212 7.5618 7.5618 7.7062 7.7062 7.7850 7.7850 7.8107 7.8107 8.1824 8.1824 8.1945 8.1945 8.3712 8.3712 8.5904 8.5904 8.7820 8.7820 9.0011 9.0011 9.0917 9.0917 9.1243 9.1243 9.3467 9.3467 9.4610 9.4610 9.6113 9.6113 k = 0.5000 0.2887 0.4862 ( 12712 PWs) bands (ev): 0.2707 0.2707 0.4926 0.4926 0.8615 0.8615 1.3230 1.3230 1.3276 1.3276 1.3496 1.3496 4.2992 4.2992 4.4748 4.4748 4.8628 4.8628 5.1132 5.1132 5.1203 5.1203 5.6183 5.6183 6.0912 6.0912 6.2960 6.2960 6.3309 6.3309 6.4900 6.4900 6.5824 6.5824 6.7076 6.7076 6.7500 6.7500 6.7626 6.7626 7.1113 7.1113 7.1857 7.1857 7.3309 7.3309 7.5736 7.5736 7.6912 7.6912 7.7748 7.7748 7.7868 7.7868 8.1763 8.1763 8.1978 8.1978 8.3691 8.3691 8.6380 8.6380 8.7601 8.7601 8.9561 8.9561 9.0282 9.0282 9.0736 9.0736 9.3221 9.3221 9.4519 9.4519 9.6137 9.6137 k = 0.5000 0.2887 0.4606 ( 12732 PWs) bands (ev): 0.2234 0.2234 0.4542 0.4542 0.8403 0.8403 1.3325 1.3325 1.3581 1.3581 1.4120 1.4120 4.2892 4.2892 4.4810 4.4810 4.8741 4.8741 5.0882 5.0882 5.1602 5.1602 5.6175 5.6175 6.0675 6.0675 6.3012 6.3012 6.3273 6.3273 6.4975 6.4975 6.6031 6.6031 6.7151 6.7151 6.7324 6.7324 6.7448 6.7448 7.0917 7.0917 7.1443 7.1443 7.3352 7.3352 7.5741 7.5741 7.6784 7.6784 7.7610 7.7610 7.7678 7.7678 8.1709 8.1709 8.2012 8.2012 8.3702 8.3702 8.6821 8.6821 8.7286 8.7286 8.9146 8.9146 8.9655 8.9655 9.0282 9.0282 9.3033 9.3033 9.4464 9.4464 9.6125 9.6125 k = 0.5000 0.2887 0.4350 ( 12730 PWs) bands (ev): 0.1781 0.1781 0.4171 0.4171 0.8188 0.8188 1.3403 1.3403 1.3875 1.3875 1.4734 1.4734 4.2820 4.2820 4.4912 4.4912 4.8843 4.8843 5.0586 5.0586 5.2041 5.2041 5.6140 5.6140 6.0398 6.0398 6.3064 6.3064 6.3204 6.3204 6.5082 6.5082 6.6227 6.6227 6.6957 6.6957 6.7137 6.7137 6.7661 6.7661 7.0722 7.0722 7.1005 7.1005 7.3352 7.3352 7.5644 7.5644 7.6677 7.6677 7.7408 7.7408 7.7563 7.7563 8.1662 8.1662 8.2040 8.2040 8.3735 8.3735 8.6890 8.6890 8.7141 8.7141 8.8762 8.8762 8.9137 8.9137 8.9889 8.9889 9.2907 9.2907 9.4442 9.4442 9.6084 9.6084 k = 0.5000 0.2887 0.4094 ( 12722 PWs) bands (ev): 0.1350 0.1350 0.3814 0.3814 0.7974 0.7974 1.3466 1.3466 1.4155 1.4155 1.5333 1.5333 4.2773 4.2773 4.5055 4.5055 4.8938 4.8938 5.0311 5.0311 5.2444 5.2444 5.6085 5.6085 6.0089 6.0089 6.3065 6.3065 6.3145 6.3145 6.5206 6.5206 6.6408 6.6408 6.6761 6.6761 6.6966 6.6966 6.7965 6.7965 7.0508 7.0508 7.0579 7.0579 7.3324 7.3324 7.5462 7.5462 7.6591 7.6591 7.7208 7.7208 7.7457 7.7457 8.1618 8.1618 8.2040 8.2040 8.3791 8.3791 8.6442 8.6442 8.7118 8.7118 8.8400 8.8400 8.8956 8.8956 8.9561 8.9561 9.2847 9.2847 9.4446 9.4446 9.6023 9.6023 k = 0.5000 0.2887 0.3838 ( 12742 PWs) bands (ev): 0.0942 0.0942 0.3474 0.3474 0.7764 0.7764 1.3514 1.3514 1.4418 1.4418 1.5916 1.5916 4.2747 4.2747 4.5242 4.5242 4.9032 4.9032 5.0059 5.0059 5.2805 5.2805 5.6015 5.6015 5.9754 5.9754 6.2967 6.2967 6.3137 6.3137 6.5337 6.5337 6.6567 6.6567 6.6592 6.6592 6.6833 6.6833 6.8305 6.8305 7.0124 7.0124 7.0332 7.0332 7.3291 7.3291 7.5215 7.5215 7.6522 7.6522 7.7021 7.7021 7.7347 7.7347 8.1574 8.1574 8.1988 8.1988 8.3873 8.3873 8.5959 8.5959 8.6691 8.6691 8.8066 8.8066 8.9111 8.9111 8.9360 8.9360 9.2852 9.2852 9.4471 9.4471 9.5947 9.5947 k = 0.5000 0.2887 0.3582 ( 12720 PWs) bands (ev): 0.0557 0.0557 0.3150 0.3150 0.7560 0.7560 1.3549 1.3549 1.4662 1.4662 1.6479 1.6479 4.2737 4.2737 4.5471 4.5471 4.9131 4.9131 4.9830 4.9830 5.3119 5.3119 5.5933 5.5933 5.9404 5.9404 6.2847 6.2847 6.3091 6.3091 6.5463 6.5463 6.6441 6.6441 6.6652 6.6652 6.6784 6.6784 6.8670 6.8670 6.9753 6.9753 7.0109 7.0109 7.3275 7.3275 7.4924 7.4924 7.6465 7.6465 7.6847 7.6847 7.7232 7.7232 8.1529 8.1529 8.1875 8.1875 8.3979 8.3979 8.5458 8.5458 8.6082 8.6082 8.7761 8.7761 8.9010 8.9010 8.9660 8.9660 9.2918 9.2918 9.4510 9.4510 9.5863 9.5863 k = 0.5000 0.2887 0.3326 ( 12720 PWs) bands (ev): 0.0195 0.0195 0.2843 0.2843 0.7365 0.7365 1.3572 1.3572 1.4885 1.4885 1.7020 1.7020 4.2739 4.2739 4.5743 4.5743 4.9242 4.9242 4.9624 4.9624 5.3379 5.3379 5.5844 5.5844 5.9048 5.9048 6.2722 6.2722 6.2981 6.2981 6.5576 6.5576 6.6302 6.6302 6.6577 6.6577 6.6876 6.6876 6.9048 6.9048 6.9476 6.9476 6.9870 6.9870 7.3291 7.3291 7.4610 7.4610 7.6414 7.6414 7.6686 7.6686 7.7110 7.7110 8.1481 8.1481 8.1707 8.1707 8.4092 8.4092 8.4954 8.4954 8.5424 8.5424 8.7478 8.7478 8.8854 8.8854 9.0125 9.0125 9.3036 9.3036 9.4559 9.4559 9.5774 9.5774 k = 0.5000 0.2887 0.3071 ( 12720 PWs) bands (ev): -0.0142 -0.0142 0.2556 0.2556 0.7180 0.7180 1.3584 1.3584 1.5089 1.5089 1.7535 1.7535 4.2747 4.2747 4.6055 4.6055 4.9372 4.9372 4.9443 4.9443 5.3583 5.3583 5.5751 5.5751 5.8694 5.8694 6.2598 6.2598 6.2803 6.2803 6.5671 6.5671 6.6165 6.6165 6.6452 6.6452 6.6968 6.6968 6.9298 6.9298 6.9455 6.9455 6.9636 6.9636 7.3351 7.3351 7.4287 7.4287 7.6364 7.6364 7.6540 7.6540 7.6979 7.6979 8.1426 8.1426 8.1500 8.1500 8.4185 8.4185 8.4470 8.4470 8.4769 8.4769 8.7215 8.7215 8.8744 8.8744 9.0609 9.0609 9.3197 9.3197 9.4612 9.4612 9.5685 9.5685 k = 0.5000 0.2887 0.2815 ( 12714 PWs) bands (ev): -0.0454 -0.0454 0.2289 0.2289 0.7006 0.7006 1.3588 1.3588 1.5271 1.5271 1.8022 1.8022 4.2757 4.2757 4.6405 4.6405 4.9285 4.9285 4.9526 4.9526 5.3729 5.3729 5.5657 5.5657 5.8349 5.8349 6.2478 6.2478 6.2559 6.2559 6.5736 6.5736 6.6026 6.6026 6.6287 6.6287 6.7024 6.7024 6.9316 6.9316 6.9358 6.9358 6.9871 6.9871 7.3455 7.3455 7.3971 7.3971 7.6300 7.6300 7.6421 7.6421 7.6838 7.6838 8.1251 8.1251 8.1385 8.1385 8.3950 8.3950 8.4115 8.4115 8.4327 8.4327 8.6970 8.6970 8.8681 8.8681 9.1087 9.1087 9.3389 9.3389 9.4663 9.4663 9.5601 9.5601 k = 0.5000 0.2887 0.2559 ( 12722 PWs) bands (ev): -0.0741 -0.0741 0.2043 0.2043 0.6843 0.6843 1.3584 1.3584 1.5434 1.5434 1.8478 1.8478 4.2765 4.2765 4.6791 4.6791 4.9150 4.9150 4.9708 4.9708 5.3814 5.3814 5.5564 5.5564 5.8019 5.8019 6.2255 6.2255 6.2363 6.2363 6.5733 6.5733 6.5907 6.5907 6.6105 6.6105 6.7031 6.7031 6.9125 6.9125 6.9476 6.9476 7.0265 7.0265 7.3595 7.3595 7.3672 7.3672 7.6202 7.6202 7.6347 7.6347 7.6685 7.6685 8.1003 8.1003 8.1327 8.1327 8.3501 8.3501 8.3514 8.3514 8.4372 8.4372 8.6743 8.6743 8.8662 8.8662 9.1545 9.1545 9.3601 9.3601 9.4708 9.4708 9.5527 9.5527 k = 0.5000 0.2887 0.2303 ( 12728 PWs) bands (ev): -0.1002 -0.1002 0.1817 0.1817 0.6694 0.6694 1.3575 1.3575 1.5577 1.5577 1.8899 1.8899 4.2769 4.2769 4.7208 4.7208 4.9036 4.9036 4.9918 4.9918 5.3839 5.3839 5.5473 5.5473 5.7710 5.7710 6.1900 6.1900 6.2255 6.2255 6.5579 6.5579 6.5876 6.5876 6.5942 6.5942 6.6976 6.6976 6.8940 6.8940 6.9740 6.9740 7.0656 7.0656 7.3397 7.3397 7.3764 7.3764 7.6083 7.6083 7.6307 7.6307 7.6518 7.6518 8.0753 8.0753 8.1270 8.1270 8.2944 8.2944 8.3074 8.3074 8.4403 8.4403 8.6533 8.6533 8.8680 8.8680 9.1976 9.1976 9.3822 9.3822 9.4743 9.4743 9.5466 9.5466 k = 0.5000 0.2887 0.2047 ( 12724 PWs) bands (ev): -0.1237 -0.1237 0.1614 0.1614 0.6559 0.6559 1.3561 1.3561 1.5702 1.5702 1.9284 1.9284 4.2768 4.2768 4.7652 4.7652 4.8944 4.8944 5.0156 5.0156 5.3804 5.3804 5.5387 5.5387 5.7425 5.7425 6.1506 6.1506 6.2156 6.2156 6.5360 6.5360 6.5805 6.5805 6.5870 6.5870 6.6854 6.6854 6.8811 6.8811 7.0083 7.0083 7.1037 7.1037 7.3155 7.3155 7.3946 7.3946 7.5961 7.5961 7.6284 7.6284 7.6337 7.6337 8.0511 8.0511 8.1214 8.1214 8.2416 8.2416 8.2678 8.2678 8.4411 8.4411 8.6340 8.6340 8.8725 8.8725 9.2373 9.2373 9.4044 9.4044 9.4762 9.4762 9.5422 9.5422 k = 0.5000 0.2887 0.1791 ( 12732 PWs) bands (ev): -0.1445 -0.1445 0.1434 0.1434 0.6438 0.6438 1.3546 1.3546 1.5809 1.5809 1.9630 1.9630 4.2761 4.2761 4.8118 4.8118 4.8871 4.8871 5.0416 5.0416 5.3710 5.3710 5.5306 5.5306 5.7167 5.7167 6.1085 6.1085 6.2067 6.2067 6.5138 6.5138 6.5691 6.5691 6.5847 6.5847 6.6678 6.6678 6.8739 6.8739 7.0476 7.0476 7.1401 7.1401 7.2947 7.2947 7.4126 7.4126 7.5838 7.5838 7.6135 7.6135 7.6280 7.6280 8.0285 8.0285 8.1160 8.1160 8.1937 8.1937 8.2319 8.2319 8.4400 8.4400 8.6165 8.6166 8.8788 8.8788 9.2731 9.2731 9.4258 9.4258 9.4764 9.4764 9.5398 9.5398 k = 0.5000 0.2887 0.1535 ( 12714 PWs) bands (ev): -0.1626 -0.1626 0.1276 0.1276 0.6332 0.6332 1.3529 1.3529 1.5899 1.5899 1.9934 1.9934 4.2751 4.2751 4.8592 4.8592 4.8823 4.8823 5.0693 5.0693 5.3559 5.3559 5.5232 5.5232 5.6941 5.6941 6.0655 6.0655 6.1988 6.1988 6.4938 6.4938 6.5590 6.5590 6.5810 6.5810 6.6472 6.6472 6.8710 6.8710 7.0899 7.0899 7.1743 7.1743 7.2775 7.2775 7.4291 7.4291 7.5717 7.5717 7.5917 7.5917 7.6292 7.6292 8.0080 8.0080 8.1109 8.1109 8.1511 8.1511 8.2000 8.2000 8.4378 8.4378 8.6010 8.6010 8.8860 8.8860 9.3048 9.3048 9.4456 9.4456 9.4753 9.4753 9.5390 9.5390 k = 0.5000 0.2887 0.1279 ( 12714 PWs) bands (ev): -0.1779 -0.1779 0.1142 0.1142 0.6242 0.6242 1.3513 1.3513 1.5974 1.5974 2.0196 2.0196 4.2737 4.2737 4.8756 4.8756 4.9112 4.9112 5.0974 5.0974 5.3354 5.3354 5.5167 5.5167 5.6747 5.6747 6.0231 6.0231 6.1920 6.1920 6.4765 6.4765 6.5502 6.5502 6.5763 6.5763 6.6261 6.6261 6.8708 6.8708 7.1335 7.1335 7.2058 7.2058 7.2637 7.2637 7.4430 7.4430 7.5589 7.5589 7.5688 7.5688 7.6323 7.6323 7.9900 7.9900 8.1056 8.1056 8.1150 8.1150 8.1725 8.1725 8.4348 8.4348 8.5875 8.5875 8.8932 8.8932 9.3319 9.3319 9.4632 9.4632 9.4733 9.4733 9.5394 9.5394 k = 0.5000 0.2887 0.1024 ( 12730 PWs) bands (ev): -0.1905 -0.1905 0.1032 0.1032 0.6168 0.6168 1.3498 1.3498 1.6033 1.6033 2.0412 2.0412 4.2722 4.2722 4.8730 4.8730 4.9607 4.9607 5.1245 5.1245 5.3097 5.3097 5.5110 5.5110 5.6587 5.6587 5.9836 5.9836 6.1863 6.1863 6.4624 6.4624 6.5425 6.5425 6.5713 6.5713 6.6068 6.6068 6.8719 6.8719 7.1768 7.1768 7.2340 7.2340 7.2531 7.2531 7.4537 7.4537 7.5390 7.5390 7.5515 7.5515 7.6369 7.6369 7.9748 7.9748 8.0831 8.0831 8.1030 8.1030 8.1496 8.1496 8.4318 8.4318 8.5762 8.5762 8.8998 8.8998 9.3544 9.3544 9.4703 9.4703 9.4790 9.4790 9.5403 9.5403 k = 0.5000 0.2887 0.0768 ( 12726 PWs) bands (ev): -0.2003 -0.2003 0.0946 0.0946 0.6110 0.6110 1.3485 1.3485 1.6079 1.6079 2.0581 2.0581 4.2709 4.2709 4.8709 4.8709 5.0102 5.0102 5.1489 5.1489 5.2793 5.2793 5.5065 5.5065 5.6463 5.6463 5.9492 5.9492 6.1819 6.1819 6.4515 6.4515 6.5360 6.5360 6.5665 6.5665 6.5907 6.5907 6.8735 6.8735 7.2176 7.2176 7.2456 7.2456 7.2583 7.2583 7.4613 7.4613 7.5124 7.5124 7.5408 7.5408 7.6422 7.6422 7.9628 7.9628 8.0592 8.0592 8.0995 8.0995 8.1315 8.1315 8.4291 8.4291 8.5672 8.5672 8.9054 8.9054 9.3720 9.3720 9.4682 9.4682 9.4911 9.4911 9.5413 9.5413 k = 0.5000 0.2887 0.0512 ( 12748 PWs) bands (ev): -0.2074 -0.2074 0.0884 0.0884 0.6068 0.6068 1.3475 1.3475 1.6111 1.6111 2.0703 2.0703 4.2698 4.2698 4.8695 4.8695 5.0583 5.0583 5.1684 5.1684 5.2453 5.2453 5.5031 5.5031 5.6374 5.6374 5.9222 5.9222 6.1787 6.1787 6.4438 6.4438 6.5310 6.5310 6.5626 6.5626 6.5789 6.5789 6.8750 6.8750 7.2389 7.2389 7.2545 7.2545 7.2790 7.2790 7.4661 7.4661 7.4855 7.4855 7.5324 7.5324 7.6470 7.6470 7.9541 7.9541 8.0419 8.0419 8.0970 8.0970 8.1185 8.1185 8.4269 8.4269 8.5607 8.5607 8.9097 8.9097 9.3847 9.3847 9.4664 9.4664 9.5001 9.5001 9.5422 9.5422 k = 0.5000 0.2887 0.0256 ( 12744 PWs) bands (ev): -0.2116 -0.2116 0.0847 0.0847 0.6043 0.6043 1.3469 1.3469 1.6130 1.6130 2.0777 2.0777 4.2690 4.2690 4.8688 4.8688 5.1024 5.1024 5.1804 5.1804 5.2105 5.2105 5.5011 5.5011 5.6320 5.6320 5.9048 5.9048 6.1768 6.1768 6.4391 6.4391 6.5276 6.5276 6.5602 6.5602 6.5717 6.5717 6.8760 6.8760 7.2364 7.2364 7.2760 7.2760 7.2977 7.2977 7.4628 7.4628 7.4688 7.4688 7.5269 7.5269 7.6504 7.6504 7.9488 7.9488 8.0314 8.0314 8.0954 8.0954 8.1108 8.1108 8.4255 8.4255 8.5568 8.5568 8.9123 8.9123 9.3923 9.3923 9.4652 9.4652 9.5056 9.5056 9.5428 9.5428 k = 0.5000 0.2887-0.0000 ( 12744 PWs) bands (ev): -0.2130 -0.2130 0.0835 0.0835 0.6034 0.6034 1.3467 1.3467 1.6136 1.6136 2.0801 2.0801 4.2688 4.2688 4.8685 4.8685 5.1280 5.1280 5.1794 5.1794 5.1931 5.1931 5.5004 5.5004 5.6302 5.6302 5.8988 5.8988 6.1761 6.1761 6.4376 6.4376 6.5265 6.5265 6.5594 6.5594 6.5693 6.5693 6.8763 6.8763 7.2355 7.2355 7.2825 7.2825 7.3070 7.3070 7.4533 7.4533 7.4696 7.4696 7.5249 7.5249 7.6516 7.6516 7.9470 7.9470 8.0279 8.0279 8.0948 8.0948 8.1082 8.1082 8.4251 8.4251 8.5554 8.5554 8.9132 8.9132 9.3948 9.3948 9.4648 9.4648 9.5075 9.5075 9.5430 9.5430 k = 0.3333 0.5774-0.0000 ( 12711 PWs) bands (ev): -0.0067 -0.0067 -0.0032 -0.0032 0.4523 0.4523 1.1844 1.1844 1.9154 1.9154 1.9199 1.9199 4.6223 4.6223 4.9254 4.9254 4.9567 4.9567 5.0067 5.0067 5.0117 5.0117 5.8405 5.8405 5.8416 5.8416 5.9163 5.9163 5.9409 5.9409 5.9595 5.9595 6.3722 6.3722 6.3902 6.3902 6.9977 6.9977 7.0618 7.0618 7.2898 7.2898 7.2922 7.2922 7.3150 7.3150 7.5567 7.5567 7.5614 7.5614 7.6088 7.6088 7.6637 7.6637 7.6873 7.6873 7.9505 7.9505 8.1754 8.1754 8.1839 8.1839 8.3369 8.3369 8.7670 8.7670 8.7758 8.7758 9.3712 9.3712 9.4508 9.4508 9.4834 9.4834 9.7750 9.7750 k = 0.3333 0.5774 0.0256 ( 12696 PWs) bands (ev): -0.0054 -0.0054 -0.0019 -0.0019 0.4532 0.4532 1.1845 1.1845 1.9140 1.9140 1.9184 1.9184 4.6202 4.6202 4.9226 4.9226 4.9530 4.9530 5.0071 5.0071 5.0130 5.0130 5.8446 5.8446 5.8460 5.8460 5.8743 5.8743 5.9606 5.9606 5.9860 5.9860 6.3731 6.3731 6.3911 6.3911 6.9992 6.9992 7.0631 7.0631 7.2852 7.2852 7.2859 7.2859 7.3105 7.3105 7.5625 7.5625 7.5674 7.5674 7.6049 7.6049 7.6620 7.6620 7.6916 7.6916 7.9519 7.9519 8.1776 8.1776 8.1861 8.1861 8.3381 8.3381 8.7664 8.7664 8.7754 8.7754 9.3685 9.3685 9.4466 9.4466 9.4832 9.4832 9.7783 9.7786 k = 0.3333 0.5774 0.0512 ( 12693 PWs) bands (ev): -0.0014 -0.0014 0.0021 0.0021 0.4561 0.4561 1.1850 1.1850 1.9096 1.9096 1.9140 1.9140 4.6138 4.6138 4.9142 4.9142 4.9423 4.9423 5.0087 5.0087 5.0167 5.0167 5.8231 5.8231 5.8588 5.8588 5.8592 5.8592 5.9636 5.9636 6.0441 6.0441 6.3758 6.3758 6.3939 6.3939 7.0037 7.0037 7.0669 7.0669 7.2659 7.2659 7.2717 7.2717 7.3015 7.3015 7.5781 7.5781 7.5834 7.5834 7.5945 7.5945 7.6582 7.6582 7.7021 7.7021 7.9558 7.9558 8.1841 8.1841 8.1925 8.1925 8.3416 8.3416 8.7648 8.7648 8.7741 8.7741 9.3609 9.3609 9.4353 9.4353 9.4818 9.4818 9.7870 9.7870 k = 0.3333 0.5774 0.0768 ( 12693 PWs) bands (ev): 0.0052 0.0052 0.0087 0.0087 0.4607 0.4607 1.1859 1.1859 1.9023 1.9023 1.9067 1.9067 4.6035 4.6035 4.9001 4.9001 4.9256 4.9256 5.0123 5.0123 5.0228 5.0228 5.7758 5.7758 5.8791 5.8791 5.8798 5.8798 5.9688 5.9688 6.1052 6.1052 6.3802 6.3802 6.3985 6.3985 7.0110 7.0110 7.0728 7.0728 7.2380 7.2380 7.2467 7.2467 7.2926 7.2926 7.5793 7.5793 7.6000 7.6000 7.6059 7.6059 7.6534 7.6534 7.7158 7.7158 7.9623 7.9623 8.1950 8.1950 8.2033 8.2033 8.3474 8.3474 8.7620 8.7620 8.7719 8.7719 9.3486 9.3486 9.4188 9.4188 9.4782 9.4782 9.7997 9.7999 k = 0.3333 0.5774 0.1024 ( 12702 PWs) bands (ev): 0.0144 0.0144 0.0179 0.0179 0.4672 0.4672 1.1870 1.1870 1.8921 1.8921 1.8965 1.8965 4.5895 4.5895 4.8812 4.8812 4.9044 4.9044 5.0183 5.0183 5.0310 5.0310 5.7305 5.7305 5.9054 5.9054 5.9071 5.9071 5.9760 5.9760 6.1686 6.1686 6.3864 6.3864 6.4050 6.4050 7.0206 7.0206 7.0794 7.0794 7.2051 7.2051 7.2164 7.2164 7.2829 7.2829 7.5612 7.5612 7.6252 7.6252 7.6310 7.6310 7.6485 7.6485 7.7312 7.7312 7.9713 7.9713 8.2104 8.2104 8.2186 8.2186 8.3554 8.3554 8.7582 8.7582 8.7688 8.7688 9.3325 9.3325 9.3986 9.3986 9.4719 9.4719 9.8162 9.8163 k = 0.3333 0.5774 0.1279 ( 12735 PWs) bands (ev): 0.0262 0.0262 0.0298 0.0298 0.4756 0.4756 1.1882 1.1882 1.8789 1.8789 1.8832 1.8832 4.5724 4.5724 4.8586 4.8586 4.8800 4.8800 5.0267 5.0267 5.0411 5.0411 5.6872 5.6872 5.9364 5.9364 5.9391 5.9391 5.9852 5.9852 6.2341 6.2341 6.3944 6.3944 6.4132 6.4132 7.0308 7.0308 7.0829 7.0829 7.1709 7.1709 7.1875 7.1875 7.2718 7.2718 7.5405 7.5405 7.6417 7.6417 7.6514 7.6514 7.6590 7.6590 7.7478 7.7478 7.9828 7.9828 8.2306 8.2306 8.2386 8.2386 8.3656 8.3656 8.7534 8.7534 8.7648 8.7648 9.3132 9.3132 9.3756 9.3756 9.4631 9.4631 9.8356 9.8356 k = 0.3333 0.5774 0.1535 ( 12711 PWs) bands (ev): 0.0406 0.0406 0.0442 0.0442 0.4857 0.4857 1.1896 1.1896 1.8627 1.8627 1.8670 1.8670 4.5526 4.5526 4.8339 4.8339 4.8539 4.8539 5.0373 5.0373 5.0530 5.0530 5.6454 5.6454 5.9706 5.9706 5.9744 5.9744 5.9965 5.9965 6.3012 6.3012 6.4039 6.4039 6.4233 6.4233 7.0370 7.0370 7.0744 7.0744 7.1415 7.1415 7.1709 7.1709 7.2589 7.2589 7.5180 7.5180 7.6372 7.6372 7.6772 7.6772 7.6846 7.6846 7.7651 7.7651 7.9967 7.9967 8.2555 8.2555 8.2633 8.2633 8.3779 8.3779 8.7475 8.7475 8.7600 8.7600 9.2913 9.2913 9.3505 9.3505 9.4520 9.4520 9.8569 9.8569 k = 0.3333 0.5774 0.1791 ( 12729 PWs) bands (ev): 0.0576 0.0576 0.0612 0.0612 0.4976 0.4976 1.1910 1.1910 1.8435 1.8435 1.8477 1.8477 4.5309 4.5309 4.8085 4.8085 4.8274 4.8274 5.0496 5.0496 5.0663 5.0663 5.6048 5.6048 6.0066 6.0066 6.0073 6.0073 6.0141 6.0141 6.3694 6.3694 6.4150 6.4150 6.4350 6.4350 7.0282 7.0282 7.0478 7.0478 7.1288 7.1288 7.1734 7.1734 7.2444 7.2444 7.4942 7.4942 7.6331 7.6331 7.7015 7.7015 7.7091 7.7091 7.7827 7.7827 8.0128 8.0128 8.2852 8.2852 8.2928 8.2928 8.3921 8.3921 8.7407 8.7407 8.7541 8.7541 9.2677 9.2677 9.3241 9.3241 9.4389 9.4389 9.8794 9.8795 k = 0.3333 0.5774 0.2047 ( 12735 PWs) bands (ev): 0.0771 0.0771 0.0807 0.0807 0.5111 0.5111 1.1923 1.1923 1.8213 1.8213 1.8254 1.8254 4.5080 4.5080 4.7834 4.7834 4.8016 4.8016 5.0632 5.0632 5.0808 5.0808 5.5648 5.5648 6.0237 6.0237 6.0433 6.0433 6.0509 6.0509 6.4275 6.4275 6.4374 6.4374 6.4494 6.4494 7.0000 7.0000 7.0102 7.0102 7.1381 7.1381 7.1873 7.1873 7.2295 7.2295 7.4701 7.4701 7.6299 7.6299 7.7237 7.7237 7.7314 7.7314 7.8004 7.8004 8.0312 8.0312 8.3198 8.3198 8.3272 8.3272 8.4082 8.4082 8.7329 8.7329 8.7473 8.7473 9.2429 9.2429 9.2969 9.2969 9.4240 9.4240 9.9025 9.9030 k = 0.3333 0.5774 0.2303 ( 12735 PWs) bands (ev): 0.0991 0.0991 0.1027 0.1027 0.5263 0.5263 1.1934 1.1934 1.7960 1.7960 1.8001 1.8001 4.4844 4.4844 4.7597 4.7597 4.7773 4.7773 5.0777 5.0777 5.0958 5.0958 5.5248 5.5248 6.0407 6.0407 6.0800 6.0800 6.0890 6.0890 6.4412 6.4412 6.4625 6.4625 6.5084 6.5084 6.9620 6.9620 6.9685 6.9685 7.1602 7.1602 7.1959 7.1959 7.2250 7.2250 7.4464 7.4464 7.6276 7.6276 7.7432 7.7432 7.7509 7.7509 7.8180 7.8180 8.0516 8.0516 8.3591 8.3591 8.3663 8.3663 8.4259 8.4259 8.7240 8.7240 8.7392 8.7392 9.2177 9.2177 9.2697 9.2697 9.4078 9.4078 9.9141 9.9141 k = 0.3333 0.5774 0.2559 ( 12738 PWs) bands (ev): 0.1235 0.1235 0.1271 0.1271 0.5431 0.5431 1.1940 1.1940 1.7677 1.7677 1.7717 1.7717 4.4609 4.4609 4.7382 4.7382 4.7553 4.7553 5.0924 5.0924 5.1111 5.1111 5.4842 5.4842 6.0593 6.0593 6.1159 6.1159 6.1266 6.1266 6.4559 6.4559 6.4786 6.4786 6.5773 6.5773 6.9209 6.9209 6.9257 6.9257 7.1817 7.1817 7.1887 7.1887 7.2458 7.2458 7.4243 7.4243 7.6263 7.6263 7.7594 7.7594 7.7672 7.7672 7.8353 7.8353 8.0740 8.0740 8.4028 8.4028 8.4097 8.4097 8.4453 8.4453 8.7138 8.7138 8.7298 8.7298 9.1929 9.1929 9.2432 9.2432 9.3906 9.3906 9.9086 9.9086 k = 0.3333 0.5774 0.2815 ( 12747 PWs) bands (ev): 0.1503 0.1503 0.1540 0.1540 0.5613 0.5613 1.1941 1.1941 1.7365 1.7365 1.7404 1.7404 4.4382 4.4382 4.7194 4.7194 4.7362 4.7362 5.1069 5.1069 5.1261 5.1261 5.4426 5.4426 6.0796 6.0796 6.1508 6.1508 6.1630 6.1630 6.4713 6.4713 6.4956 6.4956 6.6455 6.6455 6.8796 6.8796 6.8834 6.8834 7.1606 7.1606 7.2212 7.2212 7.2746 7.2746 7.4047 7.4047 7.6258 7.6258 7.7719 7.7719 7.7800 7.7800 7.8520 7.8520 8.0983 8.0983 8.4504 8.4504 8.4551 8.4551 8.4680 8.4680 8.7022 8.7022 8.7189 8.7189 9.1698 9.1698 9.2185 9.2185 9.3728 9.3728 9.8984 9.8984 k = 0.3333 0.5774 0.3071 ( 12750 PWs) bands (ev): 0.1795 0.1795 0.1832 0.1832 0.5810 0.5810 1.1934 1.1934 1.7024 1.7024 1.7062 1.7062 4.4169 4.4169 4.7038 4.7038 4.7203 4.7203 5.1205 5.1205 5.1401 5.1401 5.3997 5.3997 6.1016 6.1016 6.1844 6.1844 6.1980 6.1980 6.4871 6.4871 6.5132 6.5132 6.7122 6.7122 6.8396 6.8396 6.8429 6.8429 7.1371 7.1371 7.2564 7.2564 7.3064 7.3064 7.3887 7.3887 7.6262 7.6262 7.7807 7.7807 7.7889 7.7889 7.8679 7.8679 8.1244 8.1244 8.4845 8.4845 8.5013 8.5013 8.5109 8.5109 8.6889 8.6889 8.7061 8.7061 9.1496 9.1496 9.1966 9.1966 9.3551 9.3551 9.8865 9.8865 k = 0.3333 0.5774 0.3326 ( 12744 PWs) bands (ev): 0.2110 0.2110 0.2147 0.2147 0.6020 0.6020 1.1919 1.1919 1.6654 1.6654 1.6692 1.6692 4.3976 4.3976 4.6918 4.6918 4.7081 4.7081 5.1327 5.1327 5.1526 5.1526 5.3549 5.3549 6.1251 6.1251 6.2166 6.2166 6.2315 6.2315 6.5029 6.5029 6.5310 6.5310 6.7763 6.7763 6.8022 6.8022 6.8052 6.8052 7.1118 7.1118 7.2931 7.2931 7.3392 7.3392 7.3776 7.3776 7.6273 7.6273 7.7855 7.7855 7.7940 7.7940 7.8828 7.8828 8.1521 8.1521 8.5070 8.5070 8.5546 8.5546 8.5641 8.5641 8.6735 8.6735 8.6913 8.6913 9.1337 9.1337 9.1790 9.1790 9.3379 9.3379 9.8735 9.8735 k = 0.3333 0.5774 0.3582 ( 12729 PWs) bands (ev): 0.2447 0.2447 0.2484 0.2484 0.6242 0.6242 1.1894 1.1894 1.6258 1.6258 1.6296 1.6296 4.3808 4.3808 4.6835 4.6835 4.6996 4.6996 5.1428 5.1428 5.1629 5.1629 5.3083 5.3083 6.1502 6.1502 6.2473 6.2473 6.2635 6.2635 6.5181 6.5181 6.5482 6.5482 6.7685 6.7685 6.7712 6.7712 6.8378 6.8378 7.0850 7.0850 7.3304 7.3304 7.3650 7.3650 7.3788 7.3788 7.6290 7.6290 7.7866 7.7866 7.7955 7.7955 7.8966 7.8966 8.1814 8.1814 8.5292 8.5292 8.6086 8.6086 8.6185 8.6185 8.6560 8.6560 8.6749 8.6749 9.1238 9.1238 9.1671 9.1671 9.3218 9.3218 9.8596 9.8596 k = 0.3333 0.5774 0.3838 ( 12741 PWs) bands (ev): 0.2805 0.2805 0.2843 0.2843 0.6475 0.6475 1.1856 1.1856 1.5836 1.5836 1.5874 1.5874 4.3671 4.3671 4.6792 4.6792 4.6951 4.6951 5.1503 5.1503 5.1703 5.1703 5.2598 5.2598 6.1767 6.1767 6.2766 6.2766 6.2939 6.2939 6.5317 6.5317 6.5637 6.5637 6.7402 6.7402 6.7432 6.7432 6.8949 6.8949 7.0568 7.0568 7.3665 7.3665 7.3675 7.3675 7.4077 7.4077 7.6316 7.6316 7.7847 7.7847 7.7942 7.7942 7.9089 7.9089 8.2119 8.2119 8.5512 8.5512 8.6316 8.6316 8.6466 8.6466 8.6668 8.6668 8.6824 8.6824 9.1216 9.1216 9.1624 9.1624 9.3076 9.3076 9.8452 9.8452 k = 0.3333 0.5774 0.4094 ( 12726 PWs) bands (ev): 0.3185 0.3185 0.3222 0.3222 0.6719 0.6719 1.1805 1.1805 1.5391 1.5391 1.5429 1.5429 4.3568 4.3568 4.6788 4.6788 4.6946 4.6946 5.1545 5.1545 5.1736 5.1736 5.2099 5.2099 6.2045 6.2045 6.3045 6.3045 6.3228 6.3228 6.5424 6.5424 6.5755 6.5755 6.7192 6.7192 6.7235 6.7235 6.9472 6.9472 7.0274 7.0274 7.3725 7.3725 7.3995 7.3995 7.4364 7.4364 7.6350 7.6350 7.7814 7.7814 7.7917 7.7917 7.9198 7.9198 8.2437 8.2437 8.5724 8.5724 8.6082 8.6082 8.6255 8.6255 8.7196 8.7196 8.7356 8.7356 9.1281 9.1281 9.1659 9.1659 9.2959 9.2959 9.8304 9.8304 k = 0.3333 0.5774 0.4350 ( 12726 PWs) bands (ev): 0.3584 0.3584 0.3622 0.3622 0.6971 0.6971 1.1739 1.1739 1.4924 1.4924 1.4962 1.4962 4.3503 4.3503 4.6823 4.6823 4.6981 4.6981 5.1536 5.1536 5.1549 5.1549 5.1778 5.1778 6.2336 6.2336 6.3309 6.3309 6.3501 6.3501 6.5484 6.5484 6.5811 6.5811 6.7080 6.7080 6.7150 6.7150 6.9944 6.9944 6.9968 6.9968 7.3822 7.3822 7.4264 7.4264 7.4591 7.4591 7.6398 7.6398 7.7791 7.7791 7.7907 7.7907 7.9289 7.9289 8.2764 8.2764 8.5802 8.5802 8.5896 8.5896 8.6012 8.6012 8.7714 8.7714 8.7900 8.7900 9.1437 9.1437 9.1780 9.1780 9.2876 9.2876 9.8151 9.8151 k = 0.3333 0.5774 0.4606 ( 12717 PWs) bands (ev): 0.4003 0.4003 0.4041 0.4041 0.7232 0.7232 1.1658 1.1658 1.4438 1.4438 1.4476 1.4476 4.3480 4.3480 4.6898 4.6898 4.7054 4.7054 5.1012 5.1012 5.1513 5.1513 5.1725 5.1725 6.2639 6.2639 6.3555 6.3555 6.3758 6.3758 6.5485 6.5485 6.5794 6.5794 6.7083 6.7083 6.7193 6.7193 6.9651 6.9651 7.0365 7.0365 7.3952 7.3952 7.4436 7.4436 7.4721 7.4721 7.6465 7.6465 7.7813 7.7813 7.7945 7.7945 7.9361 7.9361 8.3098 8.3098 8.5488 8.5488 8.5656 8.5656 8.6128 8.6128 8.8209 8.8209 8.8426 8.8426 9.1675 9.1675 9.1978 9.1978 9.2834 9.2834 9.7995 9.7995 k = 0.3333 0.5774 0.4862 ( 12738 PWs) bands (ev): 0.4441 0.4441 0.4479 0.4479 0.7498 0.7498 1.1559 1.1559 1.3935 1.3935 1.3972 1.3972 4.3500 4.3500 4.7009 4.7009 4.7164 4.7164 5.0462 5.0462 5.1435 5.1435 5.1641 5.1641 6.2952 6.2952 6.3783 6.3783 6.3996 6.3996 6.5437 6.5437 6.5726 6.5726 6.7197 6.7197 6.7347 6.7347 6.9324 6.9324 7.0739 7.0739 7.4091 7.4091 7.4478 7.4478 7.4724 7.4724 7.6562 7.6562 7.7915 7.7915 7.8064 7.8064 7.9413 7.9413 8.3438 8.3438 8.5143 8.5143 8.5315 8.5315 8.6292 8.6292 8.8680 8.8680 8.8929 8.8929 9.1973 9.1973 9.2233 9.2233 9.2844 9.2844 9.7831 9.7831 k = 0.3333 0.5774 0.5118 ( 12741 PWs) bands (ev): 0.4895 0.4895 0.4933 0.4933 0.7770 0.7770 1.1443 1.1443 1.3417 1.3417 1.3454 1.3454 4.3566 4.3566 4.7155 4.7155 4.7310 4.7310 4.9903 4.9903 5.1313 5.1313 5.1515 5.1515 6.3275 6.3275 6.3990 6.3990 6.4215 6.4215 6.5363 6.5363 6.5640 6.5640 6.7401 6.7401 6.7579 6.7579 6.8989 6.8989 7.1078 7.1078 7.4209 7.4209 7.4375 7.4375 7.4592 7.4592 7.6699 7.6699 7.8112 7.8112 7.8274 7.8274 7.9443 7.9443 8.3778 8.3778 8.4773 8.4773 8.4947 8.4947 8.6431 8.6431 8.9135 8.9135 8.9412 8.9412 9.2298 9.2298 9.2507 9.2507 9.2920 9.2920 9.7658 9.7658 k = 0.3333 0.5774 0.5373 ( 12738 PWs) bands (ev): 0.5366 0.5366 0.5405 0.5405 0.8044 0.8044 1.1310 1.1310 1.2886 1.2886 1.2924 1.2924 4.3678 4.3678 4.7335 4.7335 4.7489 4.7489 4.9341 4.9341 5.1151 5.1151 5.1347 5.1347 6.3607 6.3607 6.4173 6.4173 6.4413 6.4413 6.5282 6.5282 6.5556 6.5556 6.7677 6.7677 6.7870 6.7870 6.8648 6.8648 7.1392 7.1392 7.4140 7.4140 7.4263 7.4263 7.4354 7.4354 7.6885 7.6885 7.8396 7.8396 7.8566 7.8566 7.9450 7.9450 8.4115 8.4115 8.4381 8.4381 8.4559 8.4559 8.6539 8.6539 8.9581 8.9581 8.9882 8.9882 9.2611 9.2611 9.2755 9.2755 9.3076 9.3076 9.7469 9.7469 k = 0.3333 0.5774 0.5629 ( 12732 PWs) bands (ev): 0.5852 0.5852 0.5891 0.5891 0.8321 0.8321 1.1159 1.1159 1.2345 1.2345 1.2383 1.2383 4.3837 4.3837 4.7544 4.7544 4.7699 4.7699 4.8780 4.8780 5.0950 5.0950 5.1142 5.1142 6.3945 6.3945 6.4333 6.4333 6.4588 6.4588 6.5207 6.5207 6.5483 6.5483 6.8010 6.8010 6.8194 6.8194 6.8315 6.8315 7.1690 7.1690 7.3801 7.3801 7.3976 7.3976 7.4301 7.4301 7.7116 7.7116 7.8745 7.8745 7.8918 7.8918 7.9431 7.9431 8.3973 8.3973 8.4133 8.4133 8.4468 8.4468 8.6611 8.6611 9.0024 9.0024 9.0342 9.0342 9.2875 9.2875 9.2970 9.2970 9.3284 9.3284 9.7256 9.7256 k = 0.3333 0.5774 0.5885 ( 12732 PWs) bands (ev): 0.6353 0.6353 0.6391 0.6391 0.8597 0.8597 1.0991 1.0991 1.1797 1.1797 1.1835 1.1835 4.4042 4.4042 4.7781 4.7781 4.7935 4.7935 4.8226 4.8226 5.0716 5.0716 5.0903 5.0903 6.4287 6.4287 6.4471 6.4471 6.4743 6.4743 6.5141 6.5141 6.5422 6.5422 6.7938 6.7938 6.8393 6.8393 6.8600 6.8600 7.1979 7.1979 7.3385 7.3385 7.3556 7.3556 7.4247 7.4247 7.7381 7.7381 7.9138 7.9138 7.9306 7.9306 7.9388 7.9388 8.3552 8.3552 8.3717 8.3717 8.4789 8.4789 8.6642 8.6642 9.0467 9.0467 9.0796 9.0796 9.3060 9.3060 9.3174 9.3174 9.3493 9.3493 9.7011 9.7011 k = 0.3333 0.5774 0.6141 ( 12738 PWs) bands (ev): 0.6866 0.6866 0.6904 0.6904 0.8872 0.8872 1.0805 1.0805 1.1243 1.1243 1.1281 1.1281 4.4294 4.4294 4.7681 4.7681 4.8042 4.8042 4.8199 4.8199 5.0454 5.0454 5.0635 5.0635 6.4586 6.4586 6.4624 6.4624 6.4887 6.4887 6.5083 6.5083 6.5370 6.5370 6.7580 6.7580 6.8818 6.8818 6.9021 6.9021 7.2262 7.2262 7.2916 7.2916 7.3085 7.3085 7.4140 7.4140 7.7662 7.7662 7.9308 7.9308 7.9558 7.9558 7.9728 7.9728 8.3121 8.3121 8.3285 8.3285 8.5103 8.5103 8.6630 8.6630 9.0908 9.0908 9.1243 9.1243 9.3145 9.3145 9.3330 9.3330 9.3714 9.3714 9.6724 9.6724 k = 0.3333 0.5774 0.6397 ( 12714 PWs) bands (ev): 0.7390 0.7390 0.7428 0.7428 0.9144 0.9144 1.0603 1.0603 1.0685 1.0685 1.0726 1.0726 4.4590 4.4590 4.7156 4.7156 4.8322 4.8322 4.8480 4.8480 5.0169 5.0169 5.0346 5.0346 6.4683 6.4683 6.4895 6.4895 6.5033 6.5033 6.5082 6.5082 6.5324 6.5324 6.7217 6.7217 6.9279 6.9279 6.9477 6.9477 7.2412 7.2412 7.2541 7.2541 7.2581 7.2581 7.3987 7.3987 7.7945 7.7945 7.9202 7.9202 7.9994 7.9994 8.0161 8.0161 8.2683 8.2683 8.2845 8.2845 8.5401 8.5401 8.6573 8.6573 9.1342 9.1342 9.1678 9.1678 9.3124 9.3124 9.3366 9.3366 9.4004 9.4004 9.6393 9.6393 k = 0.3333 0.5774 0.6653 ( 12696 PWs) bands (ev): 0.7924 0.7924 0.7963 0.7963 0.9410 0.9410 1.0127 1.0127 1.0164 1.0164 1.0391 1.0391 4.4929 4.4929 4.6651 4.6651 4.8619 4.8619 4.8779 4.8779 4.9868 4.9868 5.0040 5.0040 6.4763 6.4763 6.4986 6.4986 6.5027 6.5027 6.5279 6.5279 6.5402 6.5402 6.6852 6.6852 6.9770 6.9770 6.9961 6.9961 7.1885 7.1885 7.2057 7.2057 7.2816 7.2816 7.3798 7.3798 7.8217 7.8217 7.9066 7.9066 8.0440 8.0440 8.0603 8.0603 8.2239 8.2239 8.2400 8.2400 8.5677 8.5677 8.6472 8.6472 9.1759 9.1759 9.2093 9.2093 9.3001 9.3001 9.3276 9.3276 9.4363 9.4363 9.6019 9.6019 k = 0.3333 0.5774 0.6909 ( 12702 PWs) bands (ev): 0.8467 0.8467 0.8505 0.8505 0.9570 0.9570 0.9608 0.9608 0.9670 0.9670 1.0162 1.0162 4.5307 4.5307 4.6172 4.6172 4.8927 4.8927 4.9089 4.9089 4.9557 4.9557 4.9725 4.9725 6.4830 6.4830 6.4938 6.4938 6.5111 6.5111 6.5231 6.5231 6.5757 6.5757 6.6486 6.6486 7.0283 7.0283 7.0468 7.0468 7.1349 7.1349 7.1524 7.1524 7.3083 7.3083 7.3579 7.3579 7.8470 7.8470 7.8897 7.8897 8.0889 8.0889 8.1051 8.1051 8.1791 8.1791 8.1951 8.1951 8.5927 8.5927 8.6329 8.6329 9.2149 9.2149 9.2475 9.2475 9.2786 9.2786 9.3085 9.3085 9.4765 9.4765 9.5612 9.5612 k = 0.3333 0.5774 0.7165 ( 12696 PWs) bands (ev): 0.9016 0.9016 0.9016 0.9016 0.9054 0.9054 0.9054 0.9054 0.9921 0.9921 0.9921 0.9921 4.5723 4.5723 4.5723 4.5723 4.9241 4.9241 4.9241 4.9241 4.9406 4.9406 4.9406 4.9406 6.4888 6.4888 6.4888 6.4888 6.5177 6.5177 6.5177 6.5177 6.6120 6.6120 6.6120 6.6120 7.0812 7.0812 7.0812 7.0812 7.0992 7.0992 7.0992 7.0992 7.3339 7.3339 7.3339 7.3339 7.8698 7.8698 7.8698 7.8698 8.1340 8.1340 8.1340 8.1340 8.1501 8.1501 8.1501 8.1501 8.6146 8.6146 8.6146 8.6146 9.2496 9.2496 9.2496 9.2496 9.2811 9.2811 9.2811 9.2811 9.5188 9.5188 9.5188 9.5188 Writing output data file Zr5Si3.save init_run : 0.42s CPU 0.53s WALL ( 1 calls) electrons : 1250.66s CPU 1258.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 1250.66s CPU 1258.14s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.14s WALL ( 221 calls) cegterg : 1130.44s CPU 1136.74s WALL ( 503 calls) Called by sum_band: Called by *egterg: h_psi : 736.31s CPU 742.42s WALL ( 9201 calls) s_psi : 26.67s CPU 26.64s WALL ( 9201 calls) g_psi : 0.68s CPU 0.70s WALL ( 8477 calls) cdiaghg : 377.84s CPU 378.97s WALL ( 8698 calls) cegterg:over : 44.50s CPU 44.35s WALL ( 8477 calls) cegterg:upda : 24.85s CPU 24.83s WALL ( 8477 calls) cegterg:last : 17.66s CPU 17.70s WALL ( 1651 calls) cdiaghg:chol : 12.79s CPU 12.96s WALL ( 8698 calls) cdiaghg:inve : 10.41s CPU 10.28s WALL ( 8698 calls) cdiaghg:para : 33.55s CPU 33.85s WALL ( 17396 calls) Called by h_psi: h_psi:vloc : 660.32s CPU 666.02s WALL ( 9201 calls) h_psi:vnl : 75.24s CPU 75.57s WALL ( 9201 calls) add_vuspsi : 34.01s CPU 34.25s WALL ( 9201 calls) General routines calbec : 41.16s CPU 41.29s WALL ( 9201 calls) fft : 0.03s CPU 0.03s WALL ( 15 calls) fftw : 649.29s CPU 654.66s WALL ( 1577284 calls) davcio : 0.20s CPU 0.30s WALL ( 442 calls) Parallel routines fft_scatter : 519.39s CPU 522.74s WALL ( 1577299 calls) PWSCF : 22m 1.04s CPU 22m24.68s WALL This run was terminated on: 10:12:54 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=