Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 22:44: 1 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: ./Zr5Ge3.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 43 43 12 1383 1383 201 Max 44 44 14 1390 1390 206 Sum 3115 3115 871 99725 99725 14683 bravais-lattice index = 14 lattice parameter (alat) = 15.1046 a.u. unit-cell volume = 2089.7872 (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)= 15.104580 celldm(2)= 1.000000 celldm(3)= 0.700238 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 0.700238 ) 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 1.428086 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Zr 4.00 91.22400 Zr( 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 ) ( 0.3501189 ) 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 ) ( 0.3501189 ) 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 ) ( 0.3501189 ) 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 ) ( 0.3501189 ) 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 ) ( 0.3501189 ) 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 ) ( 0.3501189 ) 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 ) ( 0.3501189 ) 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 ) ( 0.3501189 ) 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 ) ( 0.3501189 ) 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 ) ( 0.3501189 ) 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 ) ( 0.3501189 ) 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 ) ( 0.3501189 ) 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= 224 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044643 k( 2) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0044643 k( 3) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0044643 k( 4) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0044643 k( 5) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0044643 k( 6) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0044643 k( 7) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0044643 k( 8) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0044643 k( 9) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0044643 k( 10) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0044643 k( 11) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0044643 k( 12) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0044643 k( 13) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0044643 k( 14) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0044643 k( 15) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0044643 k( 16) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0044643 k( 17) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0044643 k( 18) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0044643 k( 19) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0044643 k( 20) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0044643 k( 21) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0044643 k( 22) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0044643 k( 23) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0044643 k( 24) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0044643 k( 25) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0044643 k( 26) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0044643 k( 27) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0044643 k( 28) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0044643 k( 29) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0044643 k( 30) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0044643 k( 31) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0044643 k( 32) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0044643 k( 33) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0044643 k( 34) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0044643 k( 35) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0044643 k( 36) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0044643 k( 37) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0044643 k( 38) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0044643 k( 39) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0044643 k( 40) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0044643 k( 41) = ( 0.3209877 0.5559669 -0.0000000), wk = 0.0044643 k( 42) = ( 0.3086420 0.5345836 -0.0000000), wk = 0.0044643 k( 43) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0044643 k( 44) = ( 0.2839506 0.4918169 -0.0000000), wk = 0.0044643 k( 45) = ( 0.2716049 0.4704336 -0.0000000), wk = 0.0044643 k( 46) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0044643 k( 47) = ( 0.2469136 0.4276669 -0.0000000), wk = 0.0044643 k( 48) = ( 0.2345679 0.4062835 -0.0000000), wk = 0.0044643 k( 49) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0044643 k( 50) = ( 0.2098765 0.3635168 -0.0000000), wk = 0.0044643 k( 51) = ( 0.1975309 0.3421335 -0.0000000), wk = 0.0044643 k( 52) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0044643 k( 53) = ( 0.1728395 0.2993668 -0.0000000), wk = 0.0044643 k( 54) = ( 0.1604938 0.2779835 -0.0000000), wk = 0.0044643 k( 55) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0044643 k( 56) = ( 0.1358025 0.2352168 -0.0000000), wk = 0.0044643 k( 57) = ( 0.1234568 0.2138334 -0.0000000), wk = 0.0044643 k( 58) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0044643 k( 59) = ( 0.0987654 0.1710667 -0.0000000), wk = 0.0044643 k( 60) = ( 0.0864198 0.1496834 -0.0000000), wk = 0.0044643 k( 61) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0044643 k( 62) = ( 0.0617284 0.1069167 -0.0000000), wk = 0.0044643 k( 63) = ( 0.0493827 0.0855334 -0.0000000), wk = 0.0044643 k( 64) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0044643 k( 65) = ( 0.0246914 0.0427667 -0.0000000), wk = 0.0044643 k( 66) = ( 0.0123457 0.0213833 -0.0000000), wk = 0.0044643 k( 67) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044643 k( 68) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044643 k( 69) = ( 0.0000000 0.0000000 0.0246222), wk = 0.0044643 k( 70) = ( 0.0000000 0.0000000 0.0492444), wk = 0.0044643 k( 71) = ( 0.0000000 0.0000000 0.0738665), wk = 0.0044643 k( 72) = ( 0.0000000 0.0000000 0.0984887), wk = 0.0044643 k( 73) = ( 0.0000000 0.0000000 0.1231109), wk = 0.0044643 k( 74) = ( 0.0000000 0.0000000 0.1477331), wk = 0.0044643 k( 75) = ( 0.0000000 0.0000000 0.1723553), wk = 0.0044643 k( 76) = ( 0.0000000 0.0000000 0.1969774), wk = 0.0044643 k( 77) = ( 0.0000000 0.0000000 0.2215996), wk = 0.0044643 k( 78) = ( 0.0000000 0.0000000 0.2462218), wk = 0.0044643 k( 79) = ( 0.0000000 0.0000000 0.2708440), wk = 0.0044643 k( 80) = ( 0.0000000 0.0000000 0.2954662), wk = 0.0044643 k( 81) = ( 0.0000000 0.0000000 0.3200883), wk = 0.0044643 k( 82) = ( 0.0000000 0.0000000 0.3447105), wk = 0.0044643 k( 83) = ( 0.0000000 0.0000000 0.3693327), wk = 0.0044643 k( 84) = ( 0.0000000 0.0000000 0.3939549), wk = 0.0044643 k( 85) = ( 0.0000000 0.0000000 0.4185771), wk = 0.0044643 k( 86) = ( 0.0000000 0.0000000 0.4431993), wk = 0.0044643 k( 87) = ( 0.0000000 0.0000000 0.4678214), wk = 0.0044643 k( 88) = ( 0.0000000 0.0000000 0.4924436), wk = 0.0044643 k( 89) = ( 0.0000000 0.0000000 0.5170658), wk = 0.0044643 k( 90) = ( 0.0000000 0.0000000 0.5416880), wk = 0.0044643 k( 91) = ( 0.0000000 0.0000000 0.5663101), wk = 0.0044643 k( 92) = ( 0.0000000 0.0000000 0.5909323), wk = 0.0044643 k( 93) = ( 0.0000000 0.0000000 0.6155545), wk = 0.0044643 k( 94) = ( 0.0000000 0.0000000 0.6401767), wk = 0.0044643 k( 95) = ( 0.0000000 0.0000000 0.6647989), wk = 0.0044643 k( 96) = ( 0.0000000 0.0000000 0.6894211), wk = 0.0044643 k( 97) = ( 0.0000000 0.0000000 0.7140432), wk = 0.0044643 k( 98) = ( 0.0000000 0.0000000 0.7140432), wk = 0.0044643 k( 99) = ( 0.0217391 0.0125511 0.7140432), wk = 0.0044643 k( 100) = ( 0.0434783 0.0251022 0.7140432), wk = 0.0044643 k( 101) = ( 0.0652174 0.0376533 0.7140432), wk = 0.0044643 k( 102) = ( 0.0869565 0.0502044 0.7140432), wk = 0.0044643 k( 103) = ( 0.1086957 0.0627555 0.7140432), wk = 0.0044643 k( 104) = ( 0.1304348 0.0753066 0.7140432), wk = 0.0044643 k( 105) = ( 0.1521739 0.0878576 0.7140432), wk = 0.0044643 k( 106) = ( 0.1739130 0.1004087 0.7140432), wk = 0.0044643 k( 107) = ( 0.1956522 0.1129598 0.7140432), wk = 0.0044643 k( 108) = ( 0.2173913 0.1255109 0.7140432), wk = 0.0044643 k( 109) = ( 0.2391304 0.1380620 0.7140432), wk = 0.0044643 k( 110) = ( 0.2608696 0.1506131 0.7140432), wk = 0.0044643 k( 111) = ( 0.2826087 0.1631642 0.7140432), wk = 0.0044643 k( 112) = ( 0.3043478 0.1757153 0.7140432), wk = 0.0044643 k( 113) = ( 0.3260870 0.1882664 0.7140432), wk = 0.0044643 k( 114) = ( 0.3478261 0.2008175 0.7140432), wk = 0.0044643 k( 115) = ( 0.3695652 0.2133686 0.7140432), wk = 0.0044643 k( 116) = ( 0.3913044 0.2259197 0.7140432), wk = 0.0044643 k( 117) = ( 0.4130435 0.2384708 0.7140432), wk = 0.0044643 k( 118) = ( 0.4347826 0.2510219 0.7140432), wk = 0.0044643 k( 119) = ( 0.4565217 0.2635729 0.7140432), wk = 0.0044643 k( 120) = ( 0.4782609 0.2761240 0.7140432), wk = 0.0044643 k( 121) = ( 0.5000000 0.2886751 0.7140432), wk = 0.0044643 k( 122) = ( 0.5000000 0.2886751 0.7140432), wk = 0.0044643 k( 123) = ( 0.4880952 0.3092948 0.7140432), wk = 0.0044643 k( 124) = ( 0.4761905 0.3299144 0.7140432), wk = 0.0044643 k( 125) = ( 0.4642857 0.3505341 0.7140432), wk = 0.0044643 k( 126) = ( 0.4523810 0.3711537 0.7140432), wk = 0.0044643 k( 127) = ( 0.4404762 0.3917734 0.7140432), wk = 0.0044643 k( 128) = ( 0.4285714 0.4123930 0.7140432), wk = 0.0044643 k( 129) = ( 0.4166667 0.4330127 0.7140432), wk = 0.0044643 k( 130) = ( 0.4047619 0.4536324 0.7140432), wk = 0.0044643 k( 131) = ( 0.3928571 0.4742520 0.7140432), wk = 0.0044643 k( 132) = ( 0.3809524 0.4948717 0.7140432), wk = 0.0044643 k( 133) = ( 0.3690476 0.5154913 0.7140432), wk = 0.0044643 k( 134) = ( 0.3571429 0.5361110 0.7140432), wk = 0.0044643 k( 135) = ( 0.3452381 0.5567306 0.7140432), wk = 0.0044643 k( 136) = ( 0.3333333 0.5773503 0.7140432), wk = 0.0044643 k( 137) = ( 0.3333333 0.5773503 0.7140432), wk = 0.0044643 k( 138) = ( 0.3209877 0.5559669 0.7140432), wk = 0.0044643 k( 139) = ( 0.3086420 0.5345836 0.7140432), wk = 0.0044643 k( 140) = ( 0.2962963 0.5132002 0.7140432), wk = 0.0044643 k( 141) = ( 0.2839506 0.4918169 0.7140432), wk = 0.0044643 k( 142) = ( 0.2716049 0.4704336 0.7140432), wk = 0.0044643 k( 143) = ( 0.2592593 0.4490502 0.7140432), wk = 0.0044643 k( 144) = ( 0.2469136 0.4276669 0.7140432), wk = 0.0044643 k( 145) = ( 0.2345679 0.4062835 0.7140432), wk = 0.0044643 k( 146) = ( 0.2222222 0.3849002 0.7140432), wk = 0.0044643 k( 147) = ( 0.2098765 0.3635168 0.7140432), wk = 0.0044643 k( 148) = ( 0.1975309 0.3421335 0.7140432), wk = 0.0044643 k( 149) = ( 0.1851852 0.3207502 0.7140432), wk = 0.0044643 k( 150) = ( 0.1728395 0.2993668 0.7140432), wk = 0.0044643 k( 151) = ( 0.1604938 0.2779835 0.7140432), wk = 0.0044643 k( 152) = ( 0.1481482 0.2566001 0.7140432), wk = 0.0044643 k( 153) = ( 0.1358025 0.2352168 0.7140432), wk = 0.0044643 k( 154) = ( 0.1234568 0.2138334 0.7140432), wk = 0.0044643 k( 155) = ( 0.1111111 0.1924501 0.7140432), wk = 0.0044643 k( 156) = ( 0.0987654 0.1710667 0.7140432), wk = 0.0044643 k( 157) = ( 0.0864198 0.1496834 0.7140432), wk = 0.0044643 k( 158) = ( 0.0740741 0.1283001 0.7140432), wk = 0.0044643 k( 159) = ( 0.0617284 0.1069167 0.7140432), wk = 0.0044643 k( 160) = ( 0.0493827 0.0855334 0.7140432), wk = 0.0044643 k( 161) = ( 0.0370370 0.0641500 0.7140432), wk = 0.0044643 k( 162) = ( 0.0246914 0.0427667 0.7140432), wk = 0.0044643 k( 163) = ( 0.0123457 0.0213833 0.7140432), wk = 0.0044643 k( 164) = ( 0.0000000 0.0000000 0.7140432), wk = 0.0044643 k( 165) = ( 0.5000000 0.2886751 0.7140432), wk = 0.0044643 k( 166) = ( 0.5000000 0.2886751 0.6894211), wk = 0.0044643 k( 167) = ( 0.5000000 0.2886751 0.6647989), wk = 0.0044643 k( 168) = ( 0.5000000 0.2886751 0.6401767), wk = 0.0044643 k( 169) = ( 0.5000000 0.2886751 0.6155545), wk = 0.0044643 k( 170) = ( 0.5000000 0.2886751 0.5909323), wk = 0.0044643 k( 171) = ( 0.5000000 0.2886751 0.5663101), wk = 0.0044643 k( 172) = ( 0.5000000 0.2886751 0.5416880), wk = 0.0044643 k( 173) = ( 0.5000000 0.2886751 0.5170658), wk = 0.0044643 k( 174) = ( 0.5000000 0.2886751 0.4924436), wk = 0.0044643 k( 175) = ( 0.5000000 0.2886751 0.4678214), wk = 0.0044643 k( 176) = ( 0.5000000 0.2886751 0.4431993), wk = 0.0044643 k( 177) = ( 0.5000000 0.2886751 0.4185771), wk = 0.0044643 k( 178) = ( 0.5000000 0.2886751 0.3939549), wk = 0.0044643 k( 179) = ( 0.5000000 0.2886751 0.3693327), wk = 0.0044643 k( 180) = ( 0.5000000 0.2886751 0.3447105), wk = 0.0044643 k( 181) = ( 0.5000000 0.2886751 0.3200883), wk = 0.0044643 k( 182) = ( 0.5000000 0.2886751 0.2954662), wk = 0.0044643 k( 183) = ( 0.5000000 0.2886751 0.2708440), wk = 0.0044643 k( 184) = ( 0.5000000 0.2886751 0.2462218), wk = 0.0044643 k( 185) = ( 0.5000000 0.2886751 0.2215996), wk = 0.0044643 k( 186) = ( 0.5000000 0.2886751 0.1969774), wk = 0.0044643 k( 187) = ( 0.5000000 0.2886751 0.1723553), wk = 0.0044643 k( 188) = ( 0.5000000 0.2886751 0.1477331), wk = 0.0044643 k( 189) = ( 0.5000000 0.2886751 0.1231109), wk = 0.0044643 k( 190) = ( 0.5000000 0.2886751 0.0984887), wk = 0.0044643 k( 191) = ( 0.5000000 0.2886751 0.0738665), wk = 0.0044643 k( 192) = ( 0.5000000 0.2886751 0.0492444), wk = 0.0044643 k( 193) = ( 0.5000000 0.2886751 0.0246222), wk = 0.0044643 k( 194) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0044643 k( 195) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0044643 k( 196) = ( 0.3333333 0.5773503 0.0246222), wk = 0.0044643 k( 197) = ( 0.3333333 0.5773503 0.0492444), wk = 0.0044643 k( 198) = ( 0.3333333 0.5773503 0.0738665), wk = 0.0044643 k( 199) = ( 0.3333333 0.5773503 0.0984887), wk = 0.0044643 k( 200) = ( 0.3333333 0.5773503 0.1231109), wk = 0.0044643 k( 201) = ( 0.3333333 0.5773503 0.1477331), wk = 0.0044643 k( 202) = ( 0.3333333 0.5773503 0.1723553), wk = 0.0044643 k( 203) = ( 0.3333333 0.5773503 0.1969774), wk = 0.0044643 k( 204) = ( 0.3333333 0.5773503 0.2215996), wk = 0.0044643 k( 205) = ( 0.3333333 0.5773503 0.2462218), wk = 0.0044643 k( 206) = ( 0.3333333 0.5773503 0.2708440), wk = 0.0044643 k( 207) = ( 0.3333333 0.5773503 0.2954662), wk = 0.0044643 k( 208) = ( 0.3333333 0.5773503 0.3200883), wk = 0.0044643 k( 209) = ( 0.3333333 0.5773503 0.3447105), wk = 0.0044643 k( 210) = ( 0.3333333 0.5773503 0.3693327), wk = 0.0044643 k( 211) = ( 0.3333333 0.5773503 0.3939549), wk = 0.0044643 k( 212) = ( 0.3333333 0.5773503 0.4185771), wk = 0.0044643 k( 213) = ( 0.3333333 0.5773503 0.4431993), wk = 0.0044643 k( 214) = ( 0.3333333 0.5773503 0.4678214), wk = 0.0044643 k( 215) = ( 0.3333333 0.5773503 0.4924436), wk = 0.0044643 k( 216) = ( 0.3333333 0.5773503 0.5170658), wk = 0.0044643 k( 217) = ( 0.3333333 0.5773503 0.5416880), wk = 0.0044643 k( 218) = ( 0.3333333 0.5773503 0.5663101), wk = 0.0044643 k( 219) = ( 0.3333333 0.5773503 0.5909323), wk = 0.0044643 k( 220) = ( 0.3333333 0.5773503 0.6155545), wk = 0.0044643 k( 221) = ( 0.3333333 0.5773503 0.6401767), wk = 0.0044643 k( 222) = ( 0.3333333 0.5773503 0.6647989), wk = 0.0044643 k( 223) = ( 0.3333333 0.5773503 0.6894211), wk = 0.0044643 k( 224) = ( 0.3333333 0.5773503 0.7140432), wk = 0.0044643 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044643 k( 2) = ( 0.0217391 0.0000000 -0.0000000), wk = 0.0044643 k( 3) = ( 0.0434783 0.0000000 -0.0000000), wk = 0.0044643 k( 4) = ( 0.0652174 -0.0000000 0.0000000), wk = 0.0044643 k( 5) = ( 0.0869565 0.0000000 -0.0000000), wk = 0.0044643 k( 6) = ( 0.1086957 0.0000000 0.0000000), wk = 0.0044643 k( 7) = ( 0.1304348 -0.0000000 0.0000000), wk = 0.0044643 k( 8) = ( 0.1521739 0.0000000 0.0000000), wk = 0.0044643 k( 9) = ( 0.1739130 0.0000000 -0.0000000), wk = 0.0044643 k( 10) = ( 0.1956522 0.0000000 0.0000000), wk = 0.0044643 k( 11) = ( 0.2173913 0.0000000 0.0000000), wk = 0.0044643 k( 12) = ( 0.2391304 0.0000000 0.0000000), wk = 0.0044643 k( 13) = ( 0.2608696 0.0000000 -0.0000000), wk = 0.0044643 k( 14) = ( 0.2826087 0.0000000 -0.0000000), wk = 0.0044643 k( 15) = ( 0.3043478 0.0000000 -0.0000000), wk = 0.0044643 k( 16) = ( 0.3260870 0.0000000 0.0000000), wk = 0.0044643 k( 17) = ( 0.3478261 0.0000000 0.0000000), wk = 0.0044643 k( 18) = ( 0.3695652 0.0000000 0.0000000), wk = 0.0044643 k( 19) = ( 0.3913044 0.0000000 0.0000000), wk = 0.0044643 k( 20) = ( 0.4130435 0.0000000 0.0000000), wk = 0.0044643 k( 21) = ( 0.4347826 0.0000000 -0.0000000), wk = 0.0044643 k( 22) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0044643 k( 23) = ( 0.4782609 0.0000000 0.0000000), wk = 0.0044643 k( 24) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0044643 k( 25) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0044643 k( 26) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0044643 k( 27) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0044643 k( 28) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0044643 k( 29) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0044643 k( 30) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0044643 k( 31) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0044643 k( 32) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0044643 k( 33) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0044643 k( 34) = ( 0.3928571 0.2142857 -0.0000000), wk = 0.0044643 k( 35) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0044643 k( 36) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0044643 k( 37) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0044643 k( 38) = ( 0.3452381 0.3095238 -0.0000000), wk = 0.0044643 k( 39) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0044643 k( 40) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0044643 k( 41) = ( 0.3209877 0.3209877 0.0000000), wk = 0.0044643 k( 42) = ( 0.3086420 0.3086420 0.0000000), wk = 0.0044643 k( 43) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0044643 k( 44) = ( 0.2839506 0.2839506 0.0000000), wk = 0.0044643 k( 45) = ( 0.2716049 0.2716049 -0.0000000), wk = 0.0044643 k( 46) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0044643 k( 47) = ( 0.2469136 0.2469136 -0.0000000), wk = 0.0044643 k( 48) = ( 0.2345679 0.2345679 0.0000000), wk = 0.0044643 k( 49) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0044643 k( 50) = ( 0.2098765 0.2098765 0.0000000), wk = 0.0044643 k( 51) = ( 0.1975309 0.1975309 0.0000000), wk = 0.0044643 k( 52) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0044643 k( 53) = ( 0.1728395 0.1728395 0.0000000), wk = 0.0044643 k( 54) = ( 0.1604938 0.1604938 0.0000000), wk = 0.0044643 k( 55) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0044643 k( 56) = ( 0.1358025 0.1358025 -0.0000000), wk = 0.0044643 k( 57) = ( 0.1234568 0.1234568 -0.0000000), wk = 0.0044643 k( 58) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0044643 k( 59) = ( 0.0987654 0.0987654 0.0000000), wk = 0.0044643 k( 60) = ( 0.0864198 0.0864198 0.0000000), wk = 0.0044643 k( 61) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0044643 k( 62) = ( 0.0617284 0.0617284 0.0000000), wk = 0.0044643 k( 63) = ( 0.0493827 0.0493827 0.0000000), wk = 0.0044643 k( 64) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0044643 k( 65) = ( 0.0246914 0.0246914 0.0000000), wk = 0.0044643 k( 66) = ( 0.0123457 0.0123457 0.0000000), wk = 0.0044643 k( 67) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044643 k( 68) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044643 k( 69) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0044643 k( 70) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0044643 k( 71) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0044643 k( 72) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0044643 k( 73) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0044643 k( 74) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0044643 k( 75) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0044643 k( 76) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0044643 k( 77) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0044643 k( 78) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0044643 k( 79) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0044643 k( 80) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0044643 k( 81) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0044643 k( 82) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0044643 k( 83) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0044643 k( 84) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0044643 k( 85) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0044643 k( 86) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0044643 k( 87) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0044643 k( 88) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0044643 k( 89) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0044643 k( 90) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0044643 k( 91) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0044643 k( 92) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0044643 k( 93) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0044643 k( 94) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0044643 k( 95) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0044643 k( 96) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0044643 k( 97) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044643 k( 98) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044643 k( 99) = ( 0.0217391 0.0000000 0.5000000), wk = 0.0044643 k( 100) = ( 0.0434783 0.0000000 0.5000000), wk = 0.0044643 k( 101) = ( 0.0652174 -0.0000000 0.5000000), wk = 0.0044643 k( 102) = ( 0.0869565 0.0000000 0.5000000), wk = 0.0044643 k( 103) = ( 0.1086957 0.0000000 0.5000000), wk = 0.0044643 k( 104) = ( 0.1304348 -0.0000000 0.5000000), wk = 0.0044643 k( 105) = ( 0.1521739 0.0000000 0.5000000), wk = 0.0044643 k( 106) = ( 0.1739130 0.0000000 0.5000000), wk = 0.0044643 k( 107) = ( 0.1956522 0.0000000 0.5000000), wk = 0.0044643 k( 108) = ( 0.2173913 0.0000000 0.5000000), wk = 0.0044643 k( 109) = ( 0.2391304 0.0000000 0.5000000), wk = 0.0044643 k( 110) = ( 0.2608696 0.0000000 0.5000000), wk = 0.0044643 k( 111) = ( 0.2826087 0.0000000 0.5000000), wk = 0.0044643 k( 112) = ( 0.3043478 0.0000000 0.5000000), wk = 0.0044643 k( 113) = ( 0.3260870 0.0000000 0.5000000), wk = 0.0044643 k( 114) = ( 0.3478261 0.0000000 0.5000000), wk = 0.0044643 k( 115) = ( 0.3695652 0.0000000 0.5000000), wk = 0.0044643 k( 116) = ( 0.3913044 0.0000000 0.5000000), wk = 0.0044643 k( 117) = ( 0.4130435 0.0000000 0.5000000), wk = 0.0044643 k( 118) = ( 0.4347826 0.0000000 0.5000000), wk = 0.0044643 k( 119) = ( 0.4565217 0.0000000 0.5000000), wk = 0.0044643 k( 120) = ( 0.4782609 0.0000000 0.5000000), wk = 0.0044643 k( 121) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0044643 k( 122) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0044643 k( 123) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0044643 k( 124) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0044643 k( 125) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0044643 k( 126) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0044643 k( 127) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0044643 k( 128) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0044643 k( 129) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0044643 k( 130) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0044643 k( 131) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0044643 k( 132) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0044643 k( 133) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0044643 k( 134) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0044643 k( 135) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0044643 k( 136) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0044643 k( 137) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0044643 k( 138) = ( 0.3209877 0.3209877 0.5000000), wk = 0.0044643 k( 139) = ( 0.3086420 0.3086420 0.5000000), wk = 0.0044643 k( 140) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0044643 k( 141) = ( 0.2839506 0.2839506 0.5000000), wk = 0.0044643 k( 142) = ( 0.2716049 0.2716049 0.5000000), wk = 0.0044643 k( 143) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0044643 k( 144) = ( 0.2469136 0.2469136 0.5000000), wk = 0.0044643 k( 145) = ( 0.2345679 0.2345679 0.5000000), wk = 0.0044643 k( 146) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0044643 k( 147) = ( 0.2098765 0.2098765 0.5000000), wk = 0.0044643 k( 148) = ( 0.1975309 0.1975309 0.5000000), wk = 0.0044643 k( 149) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0044643 k( 150) = ( 0.1728395 0.1728395 0.5000000), wk = 0.0044643 k( 151) = ( 0.1604938 0.1604938 0.5000000), wk = 0.0044643 k( 152) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0044643 k( 153) = ( 0.1358025 0.1358025 0.5000000), wk = 0.0044643 k( 154) = ( 0.1234568 0.1234568 0.5000000), wk = 0.0044643 k( 155) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0044643 k( 156) = ( 0.0987654 0.0987654 0.5000000), wk = 0.0044643 k( 157) = ( 0.0864198 0.0864198 0.5000000), wk = 0.0044643 k( 158) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0044643 k( 159) = ( 0.0617284 0.0617284 0.5000000), wk = 0.0044643 k( 160) = ( 0.0493827 0.0493827 0.5000000), wk = 0.0044643 k( 161) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0044643 k( 162) = ( 0.0246914 0.0246914 0.5000000), wk = 0.0044643 k( 163) = ( 0.0123457 0.0123457 0.5000000), wk = 0.0044643 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044643 k( 165) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0044643 k( 166) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0044643 k( 167) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0044643 k( 168) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0044643 k( 169) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0044643 k( 170) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0044643 k( 171) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0044643 k( 172) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0044643 k( 173) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0044643 k( 174) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0044643 k( 175) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0044643 k( 176) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0044643 k( 177) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0044643 k( 178) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0044643 k( 179) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0044643 k( 180) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0044643 k( 181) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0044643 k( 182) = ( 0.5000000 0.0000000 0.2068966), wk = 0.0044643 k( 183) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0044643 k( 184) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0044643 k( 185) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0044643 k( 186) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0044643 k( 187) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0044643 k( 188) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0044643 k( 189) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0044643 k( 190) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0044643 k( 191) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0044643 k( 192) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0044643 k( 193) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0044643 k( 194) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0044643 k( 195) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0044643 k( 196) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0044643 k( 197) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0044643 k( 198) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0044643 k( 199) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0044643 k( 200) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0044643 k( 201) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0044643 k( 202) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0044643 k( 203) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0044643 k( 204) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0044643 k( 205) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0044643 k( 206) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0044643 k( 207) = ( 0.3333333 0.3333333 0.2068966), wk = 0.0044643 k( 208) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0044643 k( 209) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0044643 k( 210) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0044643 k( 211) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0044643 k( 212) = ( 0.3333333 0.3333333 0.2931035), wk = 0.0044643 k( 213) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0044643 k( 214) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0044643 k( 215) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0044643 k( 216) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0044643 k( 217) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0044643 k( 218) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0044643 k( 219) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0044643 k( 220) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0044643 k( 221) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0044643 k( 222) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0044643 k( 223) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0044643 k( 224) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0044643 Dense grid: 99725 G-vectors FFT dimensions: ( 72, 72, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.40 Mb ( 348, 76) NL pseudopotentials 0.65 Mb ( 174, 244) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1385) G-vector shells 0.01 Mb ( 692) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.61 Mb ( 348, 304) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.57 Mb ( 244, 2, 76) The potential is recalculated from file : ./Zr5Ge3.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 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 6.1 secs Computing kpt #: 3 total cpu time spent up to now is 8.7 secs Computing kpt #: 4 total cpu time spent up to now is 11.5 secs Computing kpt #: 5 total cpu time spent up to now is 14.0 secs Computing kpt #: 6 total cpu time spent up to now is 16.5 secs Computing kpt #: 7 total cpu time spent up to now is 19.1 secs Computing kpt #: 8 total cpu time spent up to now is 21.7 secs Computing kpt #: 9 total cpu time spent up to now is 24.5 secs Computing kpt #: 10 total cpu time spent up to now is 27.8 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 32.9 secs Computing kpt #: 12 total cpu time spent up to now is 37.5 secs Computing kpt #: 13 total cpu time spent up to now is 41.2 secs Computing kpt #: 14 total cpu time spent up to now is 44.3 secs Computing kpt #: 15 total cpu time spent up to now is 47.1 secs Computing kpt #: 16 total cpu time spent up to now is 49.9 secs Computing kpt #: 17 total cpu time spent up to now is 52.7 secs Computing kpt #: 18 total cpu time spent up to now is 55.5 secs Computing kpt #: 19 total cpu time spent up to now is 58.2 secs Computing kpt #: 20 total cpu time spent up to now is 60.8 secs Computing kpt #: 21 total cpu time spent up to now is 63.5 secs Computing kpt #: 22 total cpu time spent up to now is 66.1 secs Computing kpt #: 23 total cpu time spent up to now is 68.8 secs Computing kpt #: 24 total cpu time spent up to now is 71.4 secs Computing kpt #: 25 total cpu time spent up to now is 74.0 secs Computing kpt #: 26 total cpu time spent up to now is 76.7 secs Computing kpt #: 27 total cpu time spent up to now is 79.4 secs Computing kpt #: 28 total cpu time spent up to now is 82.0 secs Computing kpt #: 29 total cpu time spent up to now is 84.7 secs Computing kpt #: 30 total cpu time spent up to now is 87.2 secs Computing kpt #: 31 total cpu time spent up to now is 89.8 secs Computing kpt #: 32 total cpu time spent up to now is 92.4 secs Computing kpt #: 33 total cpu time spent up to now is 95.2 secs Computing kpt #: 34 total cpu time spent up to now is 97.9 secs Computing kpt #: 35 total cpu time spent up to now is 100.8 secs Computing kpt #: 36 total cpu time spent up to now is 103.3 secs Computing kpt #: 37 total cpu time spent up to now is 106.2 secs Computing kpt #: 38 total cpu time spent up to now is 109.6 secs Computing kpt #: 39 total cpu time spent up to now is 113.1 secs Computing kpt #: 40 total cpu time spent up to now is 116.6 secs Computing kpt #: 41 total cpu time spent up to now is 119.6 secs Computing kpt #: 42 total cpu time spent up to now is 122.5 secs Computing kpt #: 43 total cpu time spent up to now is 125.3 secs Computing kpt #: 44 total cpu time spent up to now is 127.8 secs Computing kpt #: 45 total cpu time spent up to now is 130.3 secs Computing kpt #: 46 total cpu time spent up to now is 132.8 secs Computing kpt #: 47 total cpu time spent up to now is 135.4 secs Computing kpt #: 48 total cpu time spent up to now is 137.9 secs Computing kpt #: 49 total cpu time spent up to now is 140.5 secs Computing kpt #: 50 total cpu time spent up to now is 143.0 secs Computing kpt #: 51 total cpu time spent up to now is 145.8 secs Computing kpt #: 52 total cpu time spent up to now is 148.4 secs Computing kpt #: 53 total cpu time spent up to now is 151.3 secs Computing kpt #: 54 total cpu time spent up to now is 154.3 secs Computing kpt #: 55 total cpu time spent up to now is 157.7 secs Computing kpt #: 56 total cpu time spent up to now is 162.2 secs Computing kpt #: 57 total cpu time spent up to now is 166.7 secs Computing kpt #: 58 total cpu time spent up to now is 170.0 secs Computing kpt #: 59 total cpu time spent up to now is 172.9 secs Computing kpt #: 60 total cpu time spent up to now is 175.4 secs Computing kpt #: 61 total cpu time spent up to now is 178.0 secs Computing kpt #: 62 total cpu time spent up to now is 180.5 secs Computing kpt #: 63 total cpu time spent up to now is 183.4 secs Computing kpt #: 64 total cpu time spent up to now is 185.8 secs Computing kpt #: 65 total cpu time spent up to now is 188.3 secs Computing kpt #: 66 total cpu time spent up to now is 190.9 secs Computing kpt #: 67 total cpu time spent up to now is 193.5 secs Computing kpt #: 68 total cpu time spent up to now is 196.0 secs Computing kpt #: 69 total cpu time spent up to now is 198.5 secs Computing kpt #: 70 total cpu time spent up to now is 200.9 secs Computing kpt #: 71 total cpu time spent up to now is 203.8 secs Computing kpt #: 72 total cpu time spent up to now is 206.3 secs Computing kpt #: 73 total cpu time spent up to now is 208.8 secs Computing kpt #: 74 total cpu time spent up to now is 211.2 secs Computing kpt #: 75 total cpu time spent up to now is 213.6 secs Computing kpt #: 76 total cpu time spent up to now is 216.1 secs Computing kpt #: 77 total cpu time spent up to now is 218.5 secs Computing kpt #: 78 total cpu time spent up to now is 220.9 secs Computing kpt #: 79 total cpu time spent up to now is 223.3 secs Computing kpt #: 80 total cpu time spent up to now is 225.7 secs Computing kpt #: 81 total cpu time spent up to now is 228.1 secs Computing kpt #: 82 total cpu time spent up to now is 230.4 secs Computing kpt #: 83 total cpu time spent up to now is 232.7 secs Computing kpt #: 84 total cpu time spent up to now is 235.1 secs Computing kpt #: 85 total cpu time spent up to now is 237.5 secs Computing kpt #: 86 total cpu time spent up to now is 239.8 secs Computing kpt #: 87 total cpu time spent up to now is 242.1 secs Computing kpt #: 88 total cpu time spent up to now is 244.4 secs Computing kpt #: 89 total cpu time spent up to now is 246.8 secs Computing kpt #: 90 total cpu time spent up to now is 249.1 secs Computing kpt #: 91 total cpu time spent up to now is 251.4 secs Computing kpt #: 92 total cpu time spent up to now is 253.7 secs Computing kpt #: 93 total cpu time spent up to now is 255.9 secs Computing kpt #: 94 total cpu time spent up to now is 258.3 secs Computing kpt #: 95 total cpu time spent up to now is 260.4 secs Computing kpt #: 96 total cpu time spent up to now is 262.8 secs Computing kpt #: 97 total cpu time spent up to now is 265.0 secs Computing kpt #: 98 total cpu time spent up to now is 267.3 secs Computing kpt #: 99 total cpu time spent up to now is 269.5 secs Computing kpt #: 100 total cpu time spent up to now is 271.7 secs Computing kpt #: 101 total cpu time spent up to now is 273.8 secs Computing kpt #: 102 total cpu time spent up to now is 276.1 secs Computing kpt #: 103 total cpu time spent up to now is 278.5 secs Computing kpt #: 104 total cpu time spent up to now is 280.8 secs Computing kpt #: 105 total cpu time spent up to now is 283.2 secs Computing kpt #: 106 total cpu time spent up to now is 285.5 secs Computing kpt #: 107 total cpu time spent up to now is 287.9 secs Computing kpt #: 108 total cpu time spent up to now is 290.5 secs Computing kpt #: 109 total cpu time spent up to now is 292.9 secs Computing kpt #: 110 total cpu time spent up to now is 295.4 secs Computing kpt #: 111 total cpu time spent up to now is 297.9 secs Computing kpt #: 112 total cpu time spent up to now is 300.6 secs Computing kpt #: 113 total cpu time spent up to now is 303.4 secs Computing kpt #: 114 total cpu time spent up to now is 306.2 secs Computing kpt #: 115 total cpu time spent up to now is 309.1 secs Computing kpt #: 116 total cpu time spent up to now is 312.2 secs Computing kpt #: 117 total cpu time spent up to now is 315.1 secs Computing kpt #: 118 total cpu time spent up to now is 318.1 secs Computing kpt #: 119 total cpu time spent up to now is 321.1 secs Computing kpt #: 120 total cpu time spent up to now is 324.0 secs Computing kpt #: 121 total cpu time spent up to now is 327.0 secs Computing kpt #: 122 total cpu time spent up to now is 329.9 secs Computing kpt #: 123 total cpu time spent up to now is 332.9 secs Computing kpt #: 124 total cpu time spent up to now is 336.0 secs Computing kpt #: 125 total cpu time spent up to now is 338.9 secs Computing kpt #: 126 total cpu time spent up to now is 341.8 secs Computing kpt #: 127 total cpu time spent up to now is 344.8 secs Computing kpt #: 128 total cpu time spent up to now is 347.8 secs Computing kpt #: 129 total cpu time spent up to now is 350.8 secs Computing kpt #: 130 total cpu time spent up to now is 353.8 secs Computing kpt #: 131 total cpu time spent up to now is 356.7 secs Computing kpt #: 132 total cpu time spent up to now is 359.7 secs Computing kpt #: 133 total cpu time spent up to now is 362.6 secs Computing kpt #: 134 total cpu time spent up to now is 365.5 secs Computing kpt #: 135 total cpu time spent up to now is 368.3 secs Computing kpt #: 136 total cpu time spent up to now is 371.2 secs Computing kpt #: 137 total cpu time spent up to now is 374.2 secs Computing kpt #: 138 total cpu time spent up to now is 377.1 secs Computing kpt #: 139 total cpu time spent up to now is 380.0 secs Computing kpt #: 140 total cpu time spent up to now is 382.9 secs Computing kpt #: 141 total cpu time spent up to now is 385.8 secs Computing kpt #: 142 total cpu time spent up to now is 388.7 secs Computing kpt #: 143 total cpu time spent up to now is 391.6 secs Computing kpt #: 144 total cpu time spent up to now is 394.5 secs Computing kpt #: 145 total cpu time spent up to now is 397.3 secs Computing kpt #: 146 total cpu time spent up to now is 400.1 secs Computing kpt #: 147 total cpu time spent up to now is 402.9 secs Computing kpt #: 148 total cpu time spent up to now is 405.7 secs Computing kpt #: 149 total cpu time spent up to now is 408.6 secs Computing kpt #: 150 total cpu time spent up to now is 411.4 secs Computing kpt #: 151 total cpu time spent up to now is 413.9 secs Computing kpt #: 152 total cpu time spent up to now is 416.4 secs Computing kpt #: 153 total cpu time spent up to now is 418.8 secs Computing kpt #: 154 total cpu time spent up to now is 421.3 secs Computing kpt #: 155 total cpu time spent up to now is 423.7 secs Computing kpt #: 156 total cpu time spent up to now is 426.0 secs Computing kpt #: 157 total cpu time spent up to now is 428.4 secs Computing kpt #: 158 total cpu time spent up to now is 430.7 secs Computing kpt #: 159 total cpu time spent up to now is 433.1 secs Computing kpt #: 160 total cpu time spent up to now is 435.5 secs Computing kpt #: 161 total cpu time spent up to now is 437.6 secs Computing kpt #: 162 total cpu time spent up to now is 439.8 secs Computing kpt #: 163 total cpu time spent up to now is 441.9 secs Computing kpt #: 164 total cpu time spent up to now is 444.2 secs Computing kpt #: 165 total cpu time spent up to now is 447.1 secs Computing kpt #: 166 total cpu time spent up to now is 450.1 secs Computing kpt #: 167 total cpu time spent up to now is 453.1 secs Computing kpt #: 168 total cpu time spent up to now is 457.6 secs Computing kpt #: 169 total cpu time spent up to now is 463.2 secs Computing kpt #: 170 total cpu time spent up to now is 468.3 secs Computing kpt #: 171 total cpu time spent up to now is 472.8 secs Computing kpt #: 172 total cpu time spent up to now is 476.3 secs Computing kpt #: 173 total cpu time spent up to now is 479.7 secs Computing kpt #: 174 total cpu time spent up to now is 483.1 secs Computing kpt #: 175 total cpu time spent up to now is 486.2 secs Computing kpt #: 176 total cpu time spent up to now is 489.0 secs Computing kpt #: 177 total cpu time spent up to now is 491.6 secs Computing kpt #: 178 total cpu time spent up to now is 494.2 secs Computing kpt #: 179 total cpu time spent up to now is 496.8 secs Computing kpt #: 180 total cpu time spent up to now is 499.3 secs Computing kpt #: 181 total cpu time spent up to now is 501.8 secs Computing kpt #: 182 total cpu time spent up to now is 504.6 secs Computing kpt #: 183 total cpu time spent up to now is 507.0 secs Computing kpt #: 184 total cpu time spent up to now is 509.5 secs Computing kpt #: 185 total cpu time spent up to now is 511.9 secs Computing kpt #: 186 total cpu time spent up to now is 514.5 secs Computing kpt #: 187 total cpu time spent up to now is 516.9 secs Computing kpt #: 188 total cpu time spent up to now is 519.4 secs Computing kpt #: 189 total cpu time spent up to now is 521.9 secs Computing kpt #: 190 total cpu time spent up to now is 524.4 secs Computing kpt #: 191 total cpu time spent up to now is 526.9 secs Computing kpt #: 192 total cpu time spent up to now is 529.8 secs Computing kpt #: 193 total cpu time spent up to now is 532.4 secs Computing kpt #: 194 total cpu time spent up to now is 535.1 secs Computing kpt #: 195 total cpu time spent up to now is 538.5 secs Computing kpt #: 196 total cpu time spent up to now is 541.9 secs Computing kpt #: 197 total cpu time spent up to now is 545.6 secs Computing kpt #: 198 total cpu time spent up to now is 549.0 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 554.1 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 559.0 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 564.2 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 569.4 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 574.6 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 579.7 secs Computing kpt #: 205 total cpu time spent up to now is 583.9 secs Computing kpt #: 206 total cpu time spent up to now is 587.5 secs Computing kpt #: 207 total cpu time spent up to now is 590.7 secs Computing kpt #: 208 total cpu time spent up to now is 593.7 secs Computing kpt #: 209 total cpu time spent up to now is 596.8 secs Computing kpt #: 210 total cpu time spent up to now is 599.8 secs Computing kpt #: 211 total cpu time spent up to now is 602.4 secs Computing kpt #: 212 total cpu time spent up to now is 605.1 secs Computing kpt #: 213 total cpu time spent up to now is 607.7 secs Computing kpt #: 214 total cpu time spent up to now is 610.4 secs Computing kpt #: 215 total cpu time spent up to now is 613.1 secs Computing kpt #: 216 total cpu time spent up to now is 615.9 secs Computing kpt #: 217 total cpu time spent up to now is 618.6 secs Computing kpt #: 218 total cpu time spent up to now is 621.4 secs Computing kpt #: 219 total cpu time spent up to now is 624.2 secs Computing kpt #: 220 total cpu time spent up to now is 627.1 secs Computing kpt #: 221 total cpu time spent up to now is 630.0 secs Computing kpt #: 222 total cpu time spent up to now is 632.9 secs Computing kpt #: 223 total cpu time spent up to now is 635.8 secs Computing kpt #: 224 total cpu time spent up to now is 638.6 secs ethr = 1.56E-08, avg # of iterations = 37.0 total cpu time spent up to now is 638.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12431 PWs) bands (ev): -1.2403 -1.2403 0.1769 0.1769 0.1836 0.1836 1.0228 1.0228 1.0263 1.0263 1.2958 1.2958 4.3950 4.3950 4.8815 4.8815 5.3032 5.3032 5.3193 5.3193 5.6886 5.6886 5.7138 5.7138 5.7385 5.7385 6.0733 6.0733 6.1079 6.1079 6.5315 6.5315 6.5952 6.5952 7.3692 7.3692 7.5437 7.5437 7.5518 7.5518 7.5635 7.5635 7.6239 7.6239 7.7078 7.7078 7.8063 7.8063 7.8322 7.8322 7.8611 7.8611 7.8673 7.8673 8.0353 8.0353 8.3815 8.3815 8.4539 8.4539 8.4628 8.4628 8.5438 8.5438 9.5566 9.5566 9.6477 9.6477 9.6612 9.6612 9.6665 9.6665 9.7161 9.7161 9.8727 9.8727 k = 0.0217 0.0126-0.0000 ( 12449 PWs) bands (ev): -1.2389 -1.2389 0.1756 0.1756 0.1823 0.1823 1.0223 1.0223 1.0262 1.0262 1.2964 1.2964 4.3956 4.3956 4.8820 4.8820 5.3007 5.3007 5.3179 5.3179 5.6936 5.6936 5.7164 5.7164 5.7411 5.7411 6.0717 6.0717 6.1065 6.1065 6.5318 6.5318 6.5953 6.5953 7.3698 7.3698 7.5349 7.5349 7.5524 7.5524 7.5631 7.5631 7.6160 7.6160 7.7067 7.7067 7.8105 7.8105 7.8345 7.8345 7.8677 7.8677 7.8743 7.8743 8.0351 8.0351 8.3767 8.3767 8.4516 8.4516 8.4618 8.4618 8.5433 8.5433 9.5581 9.5581 9.6472 9.6472 9.6617 9.6617 9.6666 9.6666 9.7163 9.7163 9.8775 9.8775 k = 0.0435 0.0251-0.0000 ( 12471 PWs) bands (ev): -1.2347 -1.2347 0.1716 0.1716 0.1789 0.1789 1.0196 1.0196 1.0270 1.0270 1.2981 1.2981 4.3973 4.3973 4.8837 4.8837 5.2898 5.2898 5.3180 5.3180 5.7069 5.7069 5.7242 5.7242 5.7496 5.7496 6.0660 6.0660 6.1034 6.1034 6.5327 6.5327 6.5959 6.5959 7.3715 7.3715 7.5050 7.5050 7.5540 7.5540 7.5626 7.5626 7.6026 7.6026 7.7037 7.7037 7.8229 7.8229 7.8393 7.8393 7.8718 7.8718 7.9060 7.9060 8.0344 8.0344 8.3626 8.3626 8.4414 8.4414 8.4625 8.4625 8.5420 8.5420 9.5626 9.5626 9.6439 9.6439 9.6648 9.6648 9.6674 9.6674 9.7172 9.7172 9.8918 9.8918 k = 0.0652 0.0377-0.0000 ( 12471 PWs) bands (ev): -1.2277 -1.2277 0.1643 0.1643 0.1739 0.1739 1.0142 1.0142 1.0290 1.0290 1.3011 1.3011 4.4003 4.4003 4.8864 4.8864 5.2700 5.2700 5.3220 5.3220 5.7239 5.7239 5.7370 5.7370 5.7662 5.7662 6.0540 6.0540 6.1011 6.1011 6.5335 6.5335 6.5975 6.5975 7.3739 7.3739 7.4557 7.4557 7.5562 7.5562 7.5611 7.5611 7.5944 7.5944 7.6995 7.6995 7.8429 7.8429 7.8453 7.8453 7.8787 7.8787 7.9471 7.9471 8.0334 8.0334 8.3395 8.3395 8.4229 8.4229 8.4660 8.4660 8.5398 8.5398 9.5697 9.5697 9.6355 9.6355 9.6661 9.6661 9.6742 9.6742 9.7189 9.7189 9.9152 9.9152 k = 0.0870 0.0502-0.0000 ( 12477 PWs) bands (ev): -1.2179 -1.2179 0.1534 0.1534 0.1677 0.1677 1.0065 1.0065 1.0320 1.0320 1.3053 1.3053 4.4046 4.4046 4.8903 4.8903 5.2452 5.2452 5.3285 5.3285 5.7405 5.7405 5.7532 5.7532 5.7937 5.7937 6.0349 6.0349 6.1010 6.1010 6.5338 6.5338 6.6009 6.6009 7.3709 7.3709 7.4009 7.4009 7.5554 7.5554 7.5588 7.5588 7.5928 7.5928 7.6947 7.6947 7.8516 7.8516 7.8699 7.8699 7.8895 7.8895 7.9909 7.9909 8.0321 8.0321 8.3077 8.3077 8.3977 8.3977 8.4716 8.4716 8.5367 8.5367 9.5790 9.5790 9.6224 9.6224 9.6652 9.6652 9.6864 9.6864 9.7221 9.7221 9.9469 9.9469 k = 0.1087 0.0628-0.0000 ( 12471 PWs) bands (ev): -1.2054 -1.2054 0.1392 0.1392 0.1605 0.1605 0.9970 0.9970 1.0354 1.0354 1.3108 1.3108 4.4104 4.4104 4.8953 4.8953 5.2178 5.2178 5.3368 5.3368 5.7571 5.7571 5.7707 5.7707 5.8312 5.8312 6.0100 6.0100 6.1027 6.1027 6.5332 6.5332 6.6066 6.6066 7.3183 7.3183 7.3905 7.3905 7.5444 7.5444 7.5615 7.5615 7.5969 7.5969 7.6897 7.6897 7.8580 7.8580 7.9028 7.9028 7.9046 7.9046 8.0294 8.0294 8.0353 8.0353 8.2678 8.2678 8.3673 8.3673 8.4793 8.4793 8.5328 8.5328 9.5882 9.5882 9.6061 9.6061 9.6630 9.6630 9.7017 9.7017 9.7269 9.7269 9.9860 9.9860 k = 0.1304 0.0753-0.0000 ( 12451 PWs) bands (ev): -1.1902 -1.1902 0.1217 0.1217 0.1522 0.1522 0.9858 0.9858 1.0392 1.0392 1.3175 1.3175 4.4177 4.4177 4.9014 4.9014 5.1899 5.1899 5.3465 5.3465 5.7742 5.7742 5.7892 5.7892 5.8756 5.8756 5.9805 5.9805 6.1057 6.1057 6.5321 6.5321 6.6143 6.6143 7.2467 7.2467 7.3968 7.3968 7.5286 7.5286 7.5643 7.5643 7.6050 7.6050 7.6847 7.6847 7.8644 7.8644 7.9236 7.9236 7.9404 7.9404 8.0282 8.0282 8.0763 8.0763 8.2207 8.2207 8.3329 8.3329 8.4891 8.4891 8.5281 8.5281 9.5780 9.5780 9.6052 9.6052 9.6597 9.6597 9.7195 9.7195 9.7337 9.7337 10.0311 10.0311 k = 0.1522 0.0879-0.0000 ( 12453 PWs) bands (ev): -1.1724 -1.1724 0.1010 0.1010 0.1430 0.1430 0.9732 0.9732 1.0430 1.0430 1.3254 1.3254 4.4264 4.4264 4.9086 4.9086 5.1631 5.1631 5.3570 5.3570 5.7909 5.7909 5.8095 5.8095 5.9237 5.9237 5.9491 5.9491 6.1098 6.1098 6.5312 6.5312 6.6229 6.6229 7.1725 7.1725 7.4057 7.4057 7.5092 7.5092 7.5672 7.5672 7.6154 7.6154 7.6795 7.6795 7.8712 7.8712 7.9464 7.9464 7.9813 7.9813 8.0262 8.0262 8.1155 8.1155 8.1673 8.1673 8.2956 8.2956 8.5014 8.5014 8.5225 8.5225 9.5509 9.5509 9.6154 9.6154 9.6564 9.6564 9.7376 9.7376 9.7437 9.7437 10.0807 10.0807 k = 0.1739 0.1004-0.0000 ( 12453 PWs) bands (ev): -1.1520 -1.1520 0.0773 0.0773 0.1333 0.1333 0.9595 0.9595 1.0466 1.0466 1.3345 1.3345 4.4365 4.4365 4.9169 4.9169 5.1385 5.1385 5.3679 5.3679 5.8056 5.8056 5.8320 5.8320 5.9122 5.9122 5.9791 5.9791 6.1149 6.1149 6.5314 6.5314 6.6311 6.6311 7.0985 7.0985 7.4166 7.4166 7.4868 7.4868 7.5701 7.5701 7.6269 7.6269 7.6743 7.6743 7.8783 7.8783 7.9724 7.9724 8.0194 8.0194 8.0287 8.0287 8.1086 8.1086 8.1519 8.1519 8.2568 8.2568 8.5161 8.5161 8.5168 8.5168 9.5182 9.5182 9.6213 9.6213 9.6568 9.6568 9.7501 9.7501 9.7620 9.7620 10.1333 10.1333 k = 0.1957 0.1130-0.0000 ( 12453 PWs) bands (ev): -1.1291 -1.1291 0.0508 0.0508 0.1230 0.1230 0.9450 0.9450 1.0499 1.0499 1.3446 1.3446 4.4475 4.4475 4.9263 4.9263 5.1175 5.1175 5.3785 5.3785 5.8166 5.8166 5.8508 5.8508 5.8850 5.8850 6.0330 6.0330 6.1214 6.1214 6.5338 6.5338 6.6364 6.6364 7.0275 7.0275 7.4292 7.4292 7.4618 7.4618 7.5728 7.5728 7.6370 7.6370 7.6709 7.6709 7.8858 7.8858 7.9997 7.9997 8.0205 8.0205 8.0460 8.0460 8.0700 8.0700 8.1828 8.1828 8.2195 8.2195 8.5093 8.5093 8.5351 8.5351 9.4805 9.4805 9.6181 9.6181 9.6651 9.6651 9.7616 9.7616 9.7833 9.7833 10.1864 10.1864 k = 0.2174 0.1255-0.0000 ( 12455 PWs) bands (ev): -1.1038 -1.1038 0.0214 0.0214 0.1126 0.1126 0.9300 0.9300 1.0529 1.0529 1.3556 1.3556 4.4589 4.4589 4.9368 4.9368 5.1010 5.1010 5.3885 5.3885 5.8131 5.8131 5.8430 5.8430 5.8984 5.8984 6.0841 6.0841 6.1318 6.1318 6.5391 6.5391 6.6357 6.6357 6.9635 6.9635 7.4333 7.4333 7.4447 7.4447 7.5750 7.5750 7.6401 7.6401 7.6744 7.6744 7.8935 7.8935 7.9754 7.9754 8.0158 8.0158 8.0390 8.0390 8.1117 8.1117 8.1712 8.1712 8.2218 8.2218 8.5019 8.5019 8.5575 8.5575 9.4384 9.4384 9.6082 9.6082 9.6786 9.6786 9.7739 9.7739 9.8045 9.8045 10.2294 10.2294 k = 0.2391 0.1381-0.0000 ( 12457 PWs) bands (ev): -1.0763 -1.0763 -0.0105 -0.0105 0.1021 0.1021 0.9149 0.9149 1.0553 1.0553 1.3673 1.3673 4.4702 4.4702 4.9483 4.9483 5.0903 5.0903 5.3972 5.3972 5.7815 5.7815 5.8453 5.8453 5.9304 5.9304 6.1167 6.1167 6.1594 6.1594 6.5479 6.5479 6.6251 6.6251 6.9118 6.9118 7.4043 7.4043 7.4601 7.4601 7.5758 7.5758 7.6347 7.6347 7.6864 7.6864 7.8993 7.8993 7.9108 7.9108 8.0135 8.0135 8.0721 8.0721 8.1312 8.1312 8.1536 8.1536 8.2485 8.2485 8.4942 8.4942 8.5843 8.5843 9.3922 9.3922 9.5945 9.5945 9.6941 9.6941 9.7869 9.7869 9.8246 9.8246 10.2270 10.2270 k = 0.2609 0.1506-0.0000 ( 12463 PWs) bands (ev): -1.0465 -1.0465 -0.0448 -0.0448 0.0918 0.0918 0.8999 0.8999 1.0573 1.0573 1.3794 1.3794 4.4807 4.4807 4.9608 4.9608 5.0863 5.0863 5.4043 5.4043 5.7429 5.7429 5.8509 5.8509 5.9673 5.9673 6.1288 6.1288 6.2018 6.2018 6.5601 6.5601 6.6035 6.6035 6.8767 6.8767 7.3723 7.3723 7.4777 7.4777 7.5731 7.5731 7.6261 7.6261 7.7019 7.7019 7.8408 7.8408 7.9100 7.9100 8.0107 8.0107 8.0899 8.0899 8.1124 8.1124 8.1894 8.1894 8.2736 8.2736 8.4863 8.4863 8.6158 8.6158 9.3427 9.3427 9.5781 9.5781 9.7106 9.7106 9.8006 9.8006 9.8430 9.8430 10.2082 10.2082 k = 0.2826 0.1632-0.0000 ( 12474 PWs) bands (ev): -1.0148 -1.0148 -0.0812 -0.0812 0.0818 0.0818 0.8854 0.8854 1.0589 1.0589 1.3917 1.3917 4.4895 4.4895 4.9743 4.9743 5.0898 5.0898 5.4094 5.4094 5.7032 5.7032 5.8557 5.8557 6.0080 6.0080 6.1366 6.1366 6.2363 6.2363 6.5674 6.5674 6.5856 6.5856 6.8581 6.8581 7.3377 7.3377 7.4966 7.4966 7.5623 7.5623 7.6190 7.6190 7.7185 7.7185 7.7780 7.7780 7.9171 7.9171 8.0078 8.0078 8.0536 8.0536 8.1502 8.1502 8.2217 8.2217 8.2962 8.2962 8.4787 8.4787 8.6521 8.6521 9.2905 9.2905 9.5595 9.5595 9.7277 9.7277 9.8146 9.8146 9.8589 9.8589 10.1884 10.1884 k = 0.3043 0.1757-0.0000 ( 12480 PWs) bands (ev): -0.9813 -0.9813 -0.1195 -0.1195 0.0723 0.0723 0.8715 0.8715 1.0600 1.0600 1.4039 1.4039 4.4964 4.4964 4.9887 4.9887 5.1013 5.1013 5.4126 5.4126 5.6639 5.6639 5.8589 5.8589 6.0519 6.0519 6.1435 6.1435 6.2485 6.2485 6.5537 6.5537 6.6025 6.6025 6.8511 6.8511 7.3001 7.3001 7.5162 7.5162 7.5387 7.5387 7.6159 7.6159 7.7200 7.7200 7.7391 7.7391 7.9234 7.9234 8.0050 8.0050 8.0173 8.0173 8.1915 8.1915 8.2494 8.2494 8.3160 8.3160 8.4715 8.4715 8.6925 8.6925 9.2364 9.2364 9.5388 9.5388 9.7454 9.7454 9.8287 9.8287 9.8721 9.8721 10.1688 10.1688 k = 0.3261 0.1883-0.0000 ( 12470 PWs) bands (ev): -0.9462 -0.9462 -0.1593 -0.1593 0.0634 0.0634 0.8585 0.8585 1.0608 1.0608 1.4156 1.4156 4.5010 4.5010 5.0038 5.0038 5.1210 5.1210 5.4140 5.4140 5.6257 5.6257 5.8604 5.8604 6.0982 6.0982 6.1504 6.1504 6.2300 6.2300 6.5581 6.5581 6.6277 6.6277 6.8504 6.8504 7.2591 7.2591 7.4991 7.4991 7.5379 7.5379 7.6152 7.6152 7.6811 7.6811 7.7542 7.7542 7.9282 7.9282 7.9830 7.9830 8.0023 8.0023 8.2344 8.2344 8.2724 8.2724 8.3329 8.3329 8.4654 8.4654 8.7364 8.7364 9.1810 9.1810 9.5162 9.5162 9.7636 9.7636 9.8426 9.8426 9.8826 9.8826 10.1494 10.1494 k = 0.3478 0.2008-0.0000 ( 12476 PWs) bands (ev): -0.9099 -0.9099 -0.2002 -0.2002 0.0553 0.0553 0.8466 0.8466 1.0613 1.0613 1.4268 1.4268 4.5035 4.5035 5.0194 5.0194 5.1484 5.1484 5.4138 5.4138 5.5890 5.5890 5.8601 5.8601 6.1385 6.1385 6.1630 6.1630 6.1886 6.1886 6.5821 6.5821 6.6568 6.6568 6.8526 6.8526 7.2144 7.2144 7.4495 7.4495 7.5584 7.5584 7.6134 7.6134 7.6565 7.6565 7.7704 7.7704 7.9310 7.9310 7.9512 7.9512 7.9998 7.9998 8.2781 8.2781 8.2913 8.2913 8.3469 8.3469 8.4606 8.4606 8.7824 8.7824 9.1253 9.1253 9.4920 9.4920 9.7820 9.7820 9.8559 9.8559 9.8905 9.8905 10.1301 10.1301 k = 0.3696 0.2134-0.0000 ( 12458 PWs) bands (ev): -0.8727 -0.8727 -0.2415 -0.2415 0.0481 0.0481 0.8360 0.8360 1.0615 1.0615 1.4370 1.4370 4.5042 4.5042 5.0352 5.0352 5.1828 5.1828 5.4123 5.4123 5.5545 5.5545 5.8572 5.8572 6.1212 6.1212 6.1596 6.1596 6.2094 6.2094 6.6157 6.6157 6.6887 6.6887 6.8558 6.8558 7.1658 7.1658 7.3946 7.3946 7.5772 7.5772 7.6084 7.6084 7.6471 7.6471 7.7855 7.7855 7.9219 7.9219 7.9318 7.9318 7.9975 7.9975 8.3054 8.3054 8.3235 8.3235 8.3579 8.3579 8.4575 8.4575 8.8291 8.8291 9.0700 9.0700 9.4666 9.4666 9.8006 9.8006 9.8681 9.8681 9.8968 9.8968 10.1106 10.1106 k = 0.3913 0.2259-0.0000 ( 12466 PWs) bands (ev): -0.8354 -0.8354 -0.2827 -0.2827 0.0418 0.0418 0.8269 0.8269 1.0616 1.0616 1.4460 1.4460 4.5036 4.5036 5.0509 5.0509 5.2229 5.2229 5.4101 5.4101 5.5228 5.5228 5.8504 5.8504 6.0631 6.0631 6.1632 6.1632 6.2622 6.2622 6.6513 6.6513 6.7224 6.7224 6.8588 6.8588 7.1139 7.1139 7.3398 7.3398 7.5847 7.5847 7.6107 7.6107 7.6477 7.6477 7.7992 7.7992 7.8960 7.8960 7.9299 7.9299 7.9955 7.9955 8.3173 8.3173 8.3643 8.3643 8.3697 8.3697 8.4561 8.4561 8.8750 8.8750 9.0160 9.0160 9.4404 9.4404 9.8188 9.8188 9.8781 9.8781 9.9029 9.9029 10.0908 10.0908 k = 0.4130 0.2385-0.0000 ( 12462 PWs) bands (ev): -0.7988 -0.7988 -0.3226 -0.3226 0.0366 0.0366 0.8192 0.8192 1.0616 1.0616 1.4537 1.4537 4.5022 4.5022 5.0657 5.0657 5.2670 5.2670 5.4076 5.4076 5.4946 5.4946 5.8367 5.8367 6.0084 6.0084 6.1670 6.1670 6.3160 6.3160 6.6846 6.6846 6.7561 6.7561 6.8612 6.8612 7.0606 7.0606 7.2885 7.2885 7.5787 7.5787 7.6248 7.6248 7.6530 7.6530 7.8110 7.8110 7.8736 7.8736 7.9260 7.9260 7.9938 7.9938 8.3263 8.3263 8.3713 8.3713 8.4121 8.4121 8.4561 8.4561 8.9181 8.9181 8.9647 8.9647 9.4142 9.4142 9.8360 9.8360 9.8844 9.8844 9.9110 9.9110 10.0709 10.0709 k = 0.4348 0.2510-0.0000 ( 12452 PWs) bands (ev): -0.7644 -0.7644 -0.3596 -0.3596 0.0324 0.0324 0.8132 0.8132 1.0616 1.0616 1.4599 1.4599 4.5006 4.5006 5.0789 5.0789 5.3126 5.3126 5.4052 5.4052 5.4709 5.4709 5.8126 5.8126 5.9671 5.9671 6.1701 6.1701 6.3677 6.3677 6.7131 6.7131 6.7875 6.7875 6.8628 6.8628 7.0093 7.0093 7.2430 7.2430 7.5715 7.5715 7.6376 7.6376 7.6617 7.6617 7.8206 7.8206 7.8552 7.8552 7.9205 7.9205 7.9925 7.9925 8.3329 8.3329 8.3751 8.3751 8.4530 8.4530 8.4571 8.4571 8.9161 8.9161 8.9582 8.9582 9.3895 9.3895 9.8513 9.8513 9.8869 9.8869 9.9218 9.9218 10.0513 10.0513 k = 0.4565 0.2636-0.0000 ( 12448 PWs) bands (ev): -0.7347 -0.7347 -0.3912 -0.3912 0.0294 0.0294 0.8088 0.8088 1.0615 1.0615 1.4644 1.4644 4.4991 4.4991 5.0895 5.0895 5.3553 5.3553 5.4032 5.4032 5.4527 5.4527 5.7796 5.7796 5.9426 5.9426 6.1723 6.1723 6.4129 6.4129 6.7349 6.7349 6.8126 6.8126 6.8637 6.8637 6.9661 6.9661 7.2056 7.2056 7.5659 7.5659 7.6458 7.6458 7.6719 7.6719 7.8276 7.8276 7.8414 7.8414 7.9148 7.9148 7.9916 7.9916 8.3373 8.3373 8.3775 8.3775 8.4582 8.4582 8.4889 8.4889 8.8761 8.8761 8.9896 8.9896 9.3683 9.3683 9.8637 9.8637 9.8871 9.8871 9.9341 9.9341 10.0327 10.0327 k = 0.4783 0.2761-0.0000 ( 12444 PWs) bands (ev): -0.7137 -0.7137 -0.4135 -0.4135 0.0276 0.0276 0.8062 0.8062 1.0615 1.0615 1.4671 1.4671 4.4981 4.4981 5.0965 5.0965 5.3880 5.3880 5.4019 5.4019 5.4411 5.4411 5.7494 5.7494 5.9311 5.9311 6.1737 6.1737 6.4453 6.4453 6.7489 6.7489 6.8267 6.8267 6.8643 6.8643 6.9384 6.9384 7.1801 7.1801 7.5624 7.5624 7.6501 7.6501 7.6801 7.6801 7.8316 7.8316 7.8331 7.8331 7.9105 7.9105 7.9910 7.9910 8.3400 8.3400 8.3787 8.3787 8.4591 8.4591 8.5146 8.5146 8.8477 8.8477 9.0108 9.0108 9.3534 9.3534 9.8723 9.8723 9.8860 9.8860 9.9456 9.9456 10.0174 10.0174 k = 0.5000 0.2887-0.0000 ( 12450 PWs) bands (ev): -0.7059 -0.7059 -0.4217 -0.4217 0.0270 0.0270 0.8053 0.8053 1.0614 1.0614 1.4681 1.4681 4.4978 4.4978 5.0989 5.0989 5.4006 5.4006 5.4017 5.4017 5.4371 5.4371 5.7369 5.7369 5.9279 5.9279 6.1741 6.1741 6.4573 6.4573 6.7537 6.7537 6.8301 6.8301 6.8645 6.8645 6.9298 6.9298 7.1708 7.1708 7.5612 7.5612 7.6515 7.6515 7.6831 7.6831 7.8296 7.8296 7.8336 7.8336 7.9088 7.9088 7.9908 7.9908 8.3408 8.3408 8.3791 8.3791 8.4595 8.4595 8.5243 8.5243 8.8372 8.8372 9.0184 9.0184 9.3480 9.3480 9.8759 9.8759 9.8849 9.8849 9.9510 9.9510 10.0107 10.0107 k = 0.5000 0.2887-0.0000 ( 12450 PWs) bands (ev): -0.7059 -0.7059 -0.4217 -0.4217 0.0270 0.0270 0.8053 0.8053 1.0614 1.0614 1.4681 1.4681 4.4978 4.4978 5.0989 5.0989 5.4006 5.4006 5.4017 5.4017 5.4371 5.4371 5.7369 5.7369 5.9279 5.9279 6.1741 6.1741 6.4573 6.4573 6.7537 6.7537 6.8301 6.8301 6.8645 6.8645 6.9298 6.9298 7.1708 7.1708 7.5612 7.5612 7.6515 7.6515 7.6831 7.6831 7.8296 7.8296 7.8336 7.8336 7.9088 7.9088 7.9908 7.9908 8.3408 8.3408 8.3791 8.3791 8.4595 8.4595 8.5243 8.5243 8.8372 8.8372 9.0184 9.0184 9.3480 9.3480 9.8759 9.8759 9.8849 9.8849 9.9510 9.9510 10.0107 10.0107 k = 0.4881 0.3093-0.0000 ( 12451 PWs) bands (ev): -0.7048 -0.7048 -0.4216 -0.4216 0.0258 0.0258 0.8020 0.8020 1.0652 1.0652 1.4672 1.4672 4.5011 4.5011 5.0996 5.0996 5.3531 5.3531 5.4356 5.4356 5.4516 5.4516 5.7382 5.7382 5.9219 5.9219 6.1744 6.1744 6.4571 6.4571 6.7245 6.7245 6.8534 6.8534 6.8644 6.8644 6.9361 6.9361 7.1684 7.1684 7.5625 7.5625 7.6526 7.6526 7.6865 7.6865 7.8126 7.8126 7.8508 7.8508 7.9091 7.9091 7.9908 7.9908 8.3408 8.3408 8.3749 8.3749 8.4598 8.4598 8.5260 8.5260 8.8364 8.8364 9.0198 9.0198 9.3477 9.3477 9.8768 9.8768 9.8848 9.8848 9.9516 9.9516 10.0093 10.0093 k = 0.4762 0.3299-0.0000 ( 12451 PWs) bands (ev): -0.7016 -0.7016 -0.4212 -0.4212 0.0220 0.0220 0.7927 0.7927 1.0758 1.0758 1.4646 1.4646 4.5112 4.5112 5.1018 5.1018 5.3072 5.3072 5.4321 5.4321 5.5034 5.5034 5.7416 5.7416 5.9055 5.9055 6.1750 6.1750 6.4563 6.4563 6.6737 6.6737 6.8504 6.8504 6.8994 6.8994 6.9542 6.9542 7.1628 7.1628 7.5660 7.5660 7.6549 7.6549 7.6968 7.6968 7.7942 7.7942 7.8696 7.8696 7.9100 7.9100 7.9910 7.9910 8.3406 8.3406 8.3631 8.3631 8.4609 8.4609 8.5305 8.5305 8.8341 8.8341 9.0239 9.0239 9.3465 9.3465 9.8796 9.8796 9.8844 9.8844 9.9534 9.9534 10.0053 10.0053 k = 0.4643 0.3505-0.0000 ( 12461 PWs) bands (ev): -0.6963 -0.6963 -0.4206 -0.4206 0.0158 0.0158 0.7790 0.7790 1.0918 1.0918 1.4604 1.4604 4.5277 4.5277 5.1054 5.1054 5.2637 5.2637 5.4261 5.4261 5.5569 5.5569 5.7443 5.7443 5.8828 5.8828 6.1761 6.1761 6.4541 6.4541 6.6195 6.6195 6.8360 6.8360 6.9331 6.9331 6.9826 6.9826 7.1595 7.1595 7.5714 7.5714 7.6573 7.6573 7.7134 7.7134 7.7770 7.7770 7.8879 7.8879 7.9114 7.9114 7.9912 7.9912 8.3400 8.3400 8.3454 8.3454 8.4626 8.4626 8.5366 8.5366 8.8303 8.8303 9.0307 9.0307 9.3445 9.3445 9.8831 9.8831 9.8847 9.8847 9.9565 9.9565 9.9993 9.9993 k = 0.4524 0.3712-0.0000 ( 12471 PWs) bands (ev): -0.6889 -0.6889 -0.4200 -0.4200 0.0073 0.0073 0.7626 0.7626 1.1115 1.1115 1.4545 1.4545 4.5505 4.5505 5.1105 5.1105 5.2231 5.2231 5.4178 5.4178 5.6117 5.6117 5.7391 5.7391 5.8633 5.8633 6.1776 6.1776 6.4496 6.4496 6.5656 6.5656 6.8173 6.8173 6.9503 6.9503 7.0193 7.0193 7.1660 7.1660 7.5783 7.5783 7.6593 7.6593 7.7319 7.7319 7.7641 7.7641 7.9048 7.9048 7.9138 7.9138 7.9915 7.9915 8.3216 8.3216 8.3407 8.3407 8.4652 8.4652 8.5430 8.5430 8.8249 8.8249 9.0400 9.0400 9.3417 9.3417 9.8824 9.8824 9.8901 9.8901 9.9613 9.9613 9.9920 9.9920 k = 0.4405 0.3918-0.0000 ( 12483 PWs) bands (ev): -0.6795 -0.6795 -0.4197 -0.4197 -0.0032 -0.0032 0.7451 0.7451 1.1334 1.1334 1.4470 1.4470 4.5792 4.5792 5.1169 5.1169 5.1855 5.1855 5.4073 5.4073 5.6670 5.6670 5.7165 5.7165 5.8590 5.8590 6.1794 6.1794 6.4417 6.4417 6.5134 6.5134 6.7959 6.7959 6.9470 6.9470 7.0619 7.0619 7.1865 7.1865 7.5861 7.5861 7.6612 7.6612 7.7335 7.7335 7.7729 7.7729 7.9131 7.9131 7.9239 7.9239 7.9919 7.9919 8.2949 8.2949 8.3404 8.3404 8.4686 8.4686 8.5488 8.5488 8.8181 8.8181 9.0517 9.0517 9.3379 9.3379 9.8809 9.8809 9.8966 9.8966 9.9681 9.9681 9.9845 9.9845 k = 0.4286 0.4124-0.0000 ( 12475 PWs) bands (ev): -0.6680 -0.6680 -0.4199 -0.4199 -0.0153 -0.0153 0.7275 0.7275 1.1566 1.1566 1.4381 1.4381 4.6132 4.6132 5.1240 5.1240 5.1521 5.1521 5.3949 5.3949 5.6732 5.6732 5.7254 5.7254 5.8718 5.8718 6.1814 6.1814 6.4273 6.4273 6.4660 6.4660 6.7735 6.7735 6.9277 6.9277 7.1081 7.1081 7.2170 7.2170 7.5947 7.5947 7.6630 7.6630 7.7212 7.7212 7.7989 7.7989 7.9151 7.9151 7.9390 7.9390 7.9924 7.9924 8.2653 8.2653 8.3403 8.3403 8.4729 8.4729 8.5537 8.5537 8.8099 8.8099 9.0655 9.0655 9.3330 9.3330 9.8787 9.8787 9.9031 9.9031 9.9765 9.9765 9.9789 9.9789 k = 0.4167 0.4330-0.0000 ( 12485 PWs) bands (ev): -0.6546 -0.6546 -0.4213 -0.4213 -0.0287 -0.0287 0.7108 0.7108 1.1804 1.1804 1.4278 1.4278 4.6518 4.6518 5.1172 5.1172 5.1381 5.1381 5.3806 5.3806 5.6216 5.6216 5.7813 5.7813 5.8957 5.8957 6.1835 6.1835 6.3984 6.3984 6.4311 6.4311 6.7518 6.7518 6.8990 6.8990 7.1555 7.1555 7.2511 7.2511 7.6037 7.6037 7.6646 7.6646 7.7081 7.7081 7.8280 7.8280 7.9163 7.9163 7.9529 7.9529 7.9930 7.9930 8.2335 8.2335 8.3402 8.3402 8.4783 8.4783 8.5572 8.5572 8.8005 8.8005 9.0814 9.0814 9.3268 9.3268 9.8759 9.8759 9.9090 9.9090 9.9716 9.9716 9.9911 9.9911 k = 0.4048 0.4536-0.0000 ( 12479 PWs) bands (ev): -0.6391 -0.6391 -0.4242 -0.4242 -0.0426 -0.0426 0.6956 0.6956 1.2041 1.2041 1.4163 1.4163 4.6936 4.6936 5.0933 5.0933 5.1476 5.1476 5.3648 5.3648 5.5637 5.5637 5.8370 5.8370 5.9266 5.9266 6.1857 6.1857 6.3576 6.3576 6.4060 6.4060 6.7326 6.7326 6.8658 6.8658 7.2021 7.2021 7.2843 7.2843 7.6132 7.6132 7.6660 7.6660 7.6962 7.6962 7.8574 7.8574 7.9171 7.9171 7.9651 7.9651 7.9938 7.9938 8.2002 8.2002 8.3401 8.3401 8.4849 8.4849 8.5594 8.5594 8.7901 8.7901 9.0989 9.0989 9.3192 9.3192 9.8728 9.8728 9.9139 9.9139 9.9673 9.9673 10.0082 10.0082 k = 0.3929 0.4743-0.0000 ( 12467 PWs) bands (ev): -0.6218 -0.6218 -0.4293 -0.4293 -0.0563 -0.0563 0.6822 0.6822 1.2274 1.2274 1.4036 1.4036 4.7369 4.7369 5.0745 5.0745 5.1600 5.1600 5.3475 5.3475 5.5027 5.5027 5.8912 5.8912 5.9624 5.9624 6.1878 6.1878 6.3163 6.3163 6.3794 6.3794 6.7169 6.7169 6.8312 6.8312 7.2457 7.2457 7.3139 7.3139 7.6233 7.6233 7.6671 7.6671 7.6862 7.6862 7.8859 7.8859 7.9174 7.9174 7.9749 7.9749 7.9953 7.9953 8.1662 8.1662 8.3402 8.3402 8.4927 8.4927 8.5600 8.5600 8.7790 8.7790 9.1179 9.1179 9.3098 9.3098 9.8695 9.8695 9.9178 9.9178 9.9643 9.9643 10.0293 10.0293 k = 0.3810 0.4949-0.0000 ( 12471 PWs) bands (ev): -0.6027 -0.6027 -0.4374 -0.4374 -0.0689 -0.0689 0.6710 0.6710 1.2499 1.2499 1.3900 1.3900 4.7783 4.7783 5.0649 5.0649 5.1742 5.1742 5.3291 5.3291 5.4401 5.4401 5.9425 5.9425 6.0015 6.0015 6.1898 6.1898 6.2781 6.2781 6.3489 6.3489 6.7055 6.7055 6.7973 6.7973 7.2843 7.2843 7.3382 7.3382 7.6340 7.6340 7.6671 7.6671 7.6789 7.6789 7.9117 7.9117 7.9186 7.9186 7.9817 7.9817 7.9979 7.9979 8.1323 8.1323 8.3403 8.3403 8.5017 8.5017 8.5592 8.5592 8.7677 8.7677 9.1382 9.1382 9.2986 9.2986 9.8665 9.8665 9.9209 9.9209 9.9623 9.9623 10.0542 10.0542 k = 0.3690 0.5155-0.0000 ( 12463 PWs) bands (ev): -0.5818 -0.5818 -0.4491 -0.4491 -0.0795 -0.0795 0.6622 0.6622 1.2714 1.2714 1.3755 1.3755 4.8131 4.8131 5.0691 5.0691 5.1899 5.1899 5.3096 5.3096 5.3770 5.3770 5.9894 5.9894 6.0422 6.0422 6.1915 6.1915 6.2441 6.2441 6.3153 6.3153 6.6984 6.6984 6.7659 6.7659 7.3163 7.3163 7.3562 7.3562 7.6445 7.6445 7.6650 7.6650 7.6759 7.6759 7.9187 7.9187 7.9361 7.9361 7.9854 7.9854 8.0016 8.0016 8.1000 8.1000 8.3404 8.3404 8.5117 8.5117 8.5569 8.5569 8.7568 8.7568 9.1594 9.1594 9.2851 9.2851 9.8641 9.8641 9.9234 9.9234 9.9609 9.9609 10.0826 10.0826 k = 0.3571 0.5361-0.0000 ( 12471 PWs) bands (ev): -0.5593 -0.5593 -0.4650 -0.4650 -0.0875 -0.0875 0.6558 0.6558 1.2917 1.2917 1.3602 1.3602 4.8365 4.8365 5.0914 5.0914 5.2073 5.2073 5.2894 5.2894 5.3140 5.3140 6.0298 6.0298 6.0811 6.0811 6.1929 6.1929 6.2160 6.2160 6.2809 6.2809 6.6955 6.6955 6.7390 6.7390 7.3408 7.3408 7.3672 7.3672 7.6532 7.6532 7.6619 7.6619 7.6768 7.6768 7.9228 7.9228 7.9529 7.9529 7.9871 7.9871 8.0052 8.0052 8.0718 8.0718 8.3406 8.3406 8.5223 8.5223 8.5531 8.5531 8.7472 8.7472 9.1815 9.1815 9.2692 9.2692 9.8625 9.8625 9.9252 9.9252 9.9599 9.9599 10.1140 10.1140 k = 0.3452 0.5567-0.0000 ( 12469 PWs) bands (ev): -0.5352 -0.5352 -0.4851 -0.4851 -0.0924 -0.0924 0.6520 0.6520 1.3105 1.3105 1.3445 1.3445 4.8477 4.8477 5.1318 5.1318 5.2261 5.2261 5.2520 5.2520 5.2688 5.2688 6.0595 6.0595 6.1122 6.1122 6.1942 6.1942 6.1965 6.1965 6.2513 6.2513 6.6960 6.6960 6.7191 6.7191 7.3575 7.3575 7.3710 7.3710 7.6575 7.6575 7.6604 7.6604 7.6793 7.6793 7.9307 7.9307 7.9588 7.9588 7.9878 7.9878 8.0076 8.0076 8.0526 8.0526 8.3408 8.3408 8.5325 8.5325 8.5480 8.5480 8.7400 8.7400 9.2040 9.2040 9.2506 9.2506 9.8617 9.8617 9.9264 9.9264 9.9593 9.9593 10.1479 10.1479 k = 0.3333 0.5774-0.0000 ( 12471 PWs) bands (ev): -0.5115 -0.5115 -0.5075 -0.5075 -0.0940 -0.0940 0.6508 0.6508 1.3257 1.3257 1.3303 1.3303 4.8504 4.8504 5.1756 5.1756 5.2021 5.2021 5.2432 5.2432 5.2511 5.2511 6.0709 6.0709 6.1245 6.1245 6.1897 6.1897 6.1950 6.1950 6.2384 6.2384 6.6973 6.6973 6.7109 6.7109 7.3660 7.3660 7.3690 7.3690 7.6578 7.6578 7.6609 7.6609 7.6806 7.6806 7.9395 7.9395 7.9539 7.9539 7.9881 7.9881 8.0085 8.0085 8.0469 8.0469 8.3409 8.3409 8.5396 8.5396 8.5431 8.5431 8.7372 8.7372 9.2228 9.2228 9.2333 9.2333 9.8615 9.8615 9.9268 9.9268 9.9591 9.9591 10.1809 10.1809 k = 0.3333 0.5774-0.0000 ( 12471 PWs) bands (ev): -0.5115 -0.5115 -0.5075 -0.5075 -0.0940 -0.0940 0.6508 0.6508 1.3257 1.3257 1.3303 1.3303 4.8504 4.8504 5.1756 5.1756 5.2021 5.2021 5.2432 5.2432 5.2511 5.2511 6.0709 6.0709 6.1245 6.1245 6.1897 6.1897 6.1950 6.1950 6.2384 6.2384 6.6973 6.6973 6.7109 6.7109 7.3660 7.3660 7.3690 7.3690 7.6578 7.6578 7.6609 7.6609 7.6806 7.6806 7.9395 7.9395 7.9539 7.9539 7.9881 7.9881 8.0085 8.0085 8.0469 8.0469 8.3409 8.3409 8.5396 8.5396 8.5431 8.5431 8.7372 8.7372 9.2228 9.2228 9.2333 9.2333 9.8615 9.8615 9.9268 9.9268 9.9591 9.9591 10.1809 10.1809 k = 0.3210 0.5560-0.0000 ( 12475 PWs) bands (ev): -0.5388 -0.5388 -0.4814 -0.4814 -0.0923 -0.0923 0.6521 0.6521 1.3106 1.3106 1.3443 1.3443 4.8489 4.8489 5.1250 5.1250 5.2244 5.2244 5.2578 5.2578 5.2706 5.2706 6.0587 6.0587 6.1153 6.1153 6.1936 6.1936 6.1947 6.1947 6.2500 6.2500 6.6986 6.6986 6.7175 6.7175 7.3568 7.3568 7.3720 7.3720 7.6578 7.6578 7.6598 7.6598 7.6793 7.6793 7.9234 7.9234 7.9686 7.9686 7.9879 7.9879 8.0077 8.0077 8.0500 8.0500 8.3407 8.3407 8.5330 8.5330 8.5468 8.5468 8.7410 8.7410 9.2012 9.2012 9.2532 9.2532 9.8616 9.8616 9.9263 9.9263 9.9594 9.9594 10.1470 10.1470 k = 0.3086 0.5346-0.0000 ( 12473 PWs) bands (ev): -0.5715 -0.5715 -0.4520 -0.4520 -0.0877 -0.0877 0.6561 0.6561 1.2932 1.2932 1.3585 1.3585 4.8462 4.8462 5.0649 5.0649 5.2022 5.2022 5.2951 5.2951 5.3310 5.3310 6.0271 6.0271 6.1013 6.1013 6.1922 6.1922 6.1998 6.1998 6.2725 6.2725 6.7082 6.7082 6.7318 6.7318 7.3402 7.3402 7.3722 7.3722 7.6545 7.6545 7.6574 7.6574 7.6784 7.6784 7.8975 7.8975 7.9865 7.9865 7.9939 7.9939 8.0057 8.0057 8.0545 8.0545 8.3403 8.3403 8.5236 8.5236 8.5469 8.5469 8.7534 8.7534 9.1715 9.1715 9.2780 9.2780 9.8614 9.8614 9.9247 9.9247 9.9608 9.9608 10.1128 10.1128 k = 0.2963 0.5132-0.0000 ( 12469 PWs) bands (ev): -0.6069 -0.6069 -0.4214 -0.4214 -0.0806 -0.0806 0.6626 0.6626 1.2757 1.2757 1.3706 1.3706 4.8442 4.8442 5.0063 5.0063 5.1799 5.1799 5.3216 5.3216 5.4082 5.4082 5.9854 5.9854 6.0913 6.0913 6.1892 6.1892 6.1998 6.1998 6.2943 6.2943 6.7270 6.7270 6.7508 6.7508 7.3188 7.3188 7.3704 7.3704 7.6436 7.6436 7.6552 7.6552 7.6820 7.6820 7.8703 7.8703 7.9852 7.9852 8.0021 8.0021 8.0218 8.0218 8.0571 8.0571 8.3394 8.3394 8.5129 8.5129 8.5416 8.5416 8.7748 8.7748 9.1378 9.1378 9.3031 9.3031 9.8603 9.8603 9.9217 9.9217 9.9637 9.9637 10.0815 10.0815 k = 0.2840 0.4918-0.0000 ( 12473 PWs) bands (ev): -0.6444 -0.6444 -0.3898 -0.3898 -0.0714 -0.0714 0.6715 0.6715 1.2581 1.2581 1.3807 1.3807 4.8438 4.8438 4.9498 4.9498 5.1579 5.1579 5.3497 5.3497 5.4869 5.4869 5.9394 5.9394 6.0865 6.0865 6.1836 6.1836 6.1950 6.1950 6.3111 6.3111 6.7519 6.7519 6.7731 6.7731 7.2949 7.2949 7.3690 7.3690 7.6286 7.6286 7.6519 7.6519 7.6896 7.6896 7.8435 7.8435 7.9819 7.9819 7.9998 7.9998 8.0466 8.0466 8.0592 8.0592 8.3377 8.3377 8.5009 8.5009 8.5322 8.5322 8.8045 8.8045 9.1004 9.1004 9.3285 9.3285 9.8575 9.8575 9.9176 9.9176 9.9685 9.9685 10.0530 10.0530 k = 0.2716 0.4704-0.0000 ( 12475 PWs) bands (ev): -0.6833 -0.6833 -0.3572 -0.3572 -0.0606 -0.0606 0.6826 0.6826 1.2408 1.2408 1.3886 1.3886 4.8456 4.8456 4.8958 4.8958 5.1361 5.1361 5.3795 5.3795 5.5648 5.5648 5.8920 5.8920 6.0873 6.0873 6.1730 6.1730 6.1897 6.1897 6.3210 6.3210 6.7783 6.7783 6.7963 6.7963 7.2715 7.2715 7.3707 7.3707 7.6119 7.6119 7.6478 7.6478 7.6995 7.6995 7.8173 7.8173 7.9768 7.9768 7.9986 7.9986 8.0487 8.0487 8.0788 8.0788 8.3352 8.3352 8.4877 8.4877 8.5202 8.5202 8.8410 8.8410 9.0596 9.0596 9.3538 9.3538 9.8523 9.8523 9.9129 9.9129 9.9750 9.9750 10.0277 10.0277 k = 0.2593 0.4491-0.0000 ( 12471 PWs) bands (ev): -0.7229 -0.7229 -0.3238 -0.3238 -0.0485 -0.0485 0.6959 0.6959 1.2236 1.2236 1.3944 1.3944 4.8425 4.8425 4.8516 4.8516 5.1149 5.1149 5.4110 5.4110 5.6393 5.6393 5.8447 5.8447 6.0930 6.0930 6.1601 6.1601 6.1853 6.1853 6.3235 6.3235 6.8009 6.8009 6.8173 6.8173 7.2524 7.2524 7.3787 7.3787 7.5951 7.5951 7.6431 7.6431 7.7107 7.7107 7.7920 7.7920 7.9709 7.9709 7.9985 7.9985 8.0411 8.0411 8.1014 8.1014 8.3315 8.3315 8.4733 8.4733 8.5073 8.5073 8.8831 8.8831 9.0158 9.0158 9.3790 9.3790 9.8442 9.8442 9.9081 9.9081 9.9800 9.9800 10.0083 10.0083 k = 0.2469 0.4277-0.0000 ( 12473 PWs) bands (ev): -0.7629 -0.7629 -0.2899 -0.2899 -0.0354 -0.0354 0.7111 0.7111 1.2068 1.2068 1.3981 1.3981 4.7949 4.7949 4.8574 4.8574 5.0942 5.0942 5.4439 5.4439 5.7068 5.7068 5.7987 5.7987 6.0979 6.0979 6.1549 6.1549 6.1813 6.1813 6.3187 6.3187 6.8146 6.8146 6.8328 6.8328 7.2417 7.2417 7.3959 7.3959 7.5792 7.5792 7.6377 7.6377 7.7219 7.7219 7.7674 7.7674 7.9658 7.9658 7.9991 7.9991 8.0302 8.0302 8.1197 8.1197 8.3264 8.3264 8.4577 8.4577 8.4947 8.4947 8.9293 8.9293 8.9699 8.9699 9.4040 9.4040 9.8332 9.8332 9.9033 9.9033 9.9714 9.9715 10.0066 10.0066 k = 0.2346 0.4063-0.0000 ( 12463 PWs) bands (ev): -0.8027 -0.8027 -0.2557 -0.2557 -0.0216 -0.0216 0.7281 0.7281 1.1905 1.1905 1.3998 1.3998 4.7488 4.7488 4.8670 4.8670 5.0743 5.0743 5.4784 5.4784 5.7444 5.7444 5.7739 5.7739 6.0911 6.0911 6.1675 6.1675 6.1822 6.1822 6.3072 6.3072 6.8159 6.8159 6.8404 6.8404 7.2426 7.2426 7.4241 7.4241 7.5649 7.5649 7.6318 7.6318 7.7316 7.7316 7.7437 7.7437 7.9630 7.9630 8.0000 8.0000 8.0175 8.0175 8.1324 8.1324 8.3195 8.3195 8.4408 8.4408 8.4840 8.4840 8.9206 8.9206 8.9805 8.9805 9.4286 9.4286 9.8197 9.8197 9.8981 9.8981 9.9538 9.9538 10.0180 10.0180 k = 0.2222 0.3849-0.0000 ( 12469 PWs) bands (ev): -0.8420 -0.8420 -0.2212 -0.2212 -0.0074 -0.0074 0.7465 0.7465 1.1746 1.1746 1.3995 1.3995 4.7057 4.7057 4.8794 4.8794 5.0551 5.0551 5.5142 5.5142 5.7054 5.7054 5.8143 5.8143 6.0757 6.0757 6.1682 6.1682 6.2170 6.2170 6.2895 6.2895 6.8044 6.8044 6.8393 6.8393 7.2554 7.2554 7.4638 7.4638 7.5525 7.5525 7.6254 7.6254 7.7204 7.7204 7.7389 7.7389 7.9643 7.9643 7.9977 7.9977 8.0069 8.0069 8.1388 8.1388 8.3104 8.3104 8.4227 8.4227 8.4759 8.4759 8.8715 8.8715 9.0330 9.0330 9.4527 9.4527 9.8045 9.8045 9.8915 9.8915 9.9361 9.9361 10.0334 10.0334 k = 0.2099 0.3635-0.0000 ( 12465 PWs) bands (ev): -0.8805 -0.8805 -0.1868 -0.1868 0.0072 0.0072 0.7662 0.7662 1.1593 1.1593 1.3974 1.3974 4.6655 4.6655 4.8944 4.8944 5.0368 5.0368 5.5512 5.5512 5.6635 5.6635 5.8457 5.8457 6.0590 6.0590 6.1632 6.1632 6.2655 6.2655 6.2731 6.2731 6.7831 6.7831 6.8303 6.8303 7.2777 7.2777 7.5137 7.5137 7.5423 7.5423 7.6183 7.6183 7.6989 7.6989 7.7413 7.7413 7.9710 7.9710 7.9845 7.9845 8.0074 8.0074 8.1386 8.1386 8.2986 8.2986 8.4032 8.4032 8.4713 8.4713 8.8221 8.8221 9.0874 9.0874 9.4761 9.4761 9.7881 9.7881 9.8825 9.8825 9.9201 9.9201 10.0512 10.0512 k = 0.1975 0.3421-0.0000 ( 12477 PWs) bands (ev): -0.9179 -0.9179 -0.1527 -0.1527 0.0220 0.0220 0.7869 0.7869 1.1447 1.1447 1.3936 1.3936 4.6283 4.6283 4.9119 4.9119 5.0193 5.0193 5.5888 5.5888 5.6237 5.6237 5.8644 5.8644 6.0436 6.0436 6.1574 6.1574 6.2379 6.2379 6.3380 6.3380 6.7573 6.7573 6.8151 6.8151 7.3056 7.3056 7.5341 7.5341 7.5716 7.5716 7.6106 7.6106 7.6793 7.6793 7.7388 7.7388 7.9689 7.9689 7.9825 7.9825 8.0122 8.0122 8.1320 8.1320 8.2837 8.2837 8.3823 8.3823 8.4700 8.4700 8.7735 8.7735 9.1427 9.1427 9.4986 9.4986 9.7711 9.7711 9.8704 9.8704 9.9058 9.9058 10.0711 10.0711 k = 0.1852 0.3208-0.0000 ( 12481 PWs) bands (ev): -0.9540 -0.9540 -0.1190 -0.1190 0.0368 0.0368 0.8084 0.8084 1.1307 1.1307 1.3884 1.3884 4.5942 4.5942 4.9318 4.9318 5.0030 5.0030 5.5837 5.5837 5.6296 5.6296 5.8721 5.8721 6.0305 6.0305 6.1507 6.1507 6.2060 6.2060 6.4072 6.4072 6.7330 6.7330 6.7960 6.7960 7.3354 7.3354 7.5283 7.5283 7.6007 7.6007 7.6345 7.6345 7.6644 7.6644 7.7318 7.7318 7.9533 7.9533 7.9948 7.9948 8.0232 8.0232 8.1200 8.1200 8.2649 8.2649 8.3599 8.3599 8.4719 8.4719 8.7268 8.7268 9.1981 9.1981 9.5201 9.5201 9.7539 9.7539 9.8559 9.8559 9.8924 9.8924 10.0931 10.0931 k = 0.1728 0.2994-0.0000 ( 12479 PWs) bands (ev): -0.9886 -0.9886 -0.0860 -0.0860 0.0515 0.0515 0.8303 0.8303 1.1175 1.1175 1.3820 1.3820 4.5632 4.5632 4.9537 4.9537 4.9878 4.9878 5.5479 5.5479 5.6690 5.6690 5.8710 5.8710 6.0191 6.0191 6.1416 6.1416 6.1726 6.1726 6.4712 6.4712 6.7189 6.7189 6.7747 6.7747 7.3640 7.3640 7.5247 7.5247 7.5914 7.5914 7.6460 7.6460 7.7063 7.7063 7.7217 7.7217 7.9384 7.9384 8.0027 8.0027 8.0442 8.0442 8.1037 8.1037 8.2418 8.2418 8.3359 8.3359 8.4762 8.4762 8.6831 8.6831 9.2528 9.2528 9.5404 9.5404 9.7367 9.7367 9.8400 9.8400 9.8785 9.8785 10.1170 10.1170 k = 0.1605 0.2780-0.0000 ( 12471 PWs) bands (ev): -1.0214 -1.0214 -0.0540 -0.0540 0.0660 0.0660 0.8523 0.8523 1.1050 1.1050 1.3746 1.3746 4.5352 4.5352 4.9697 4.9697 4.9817 4.9817 5.5143 5.5143 5.7090 5.7090 5.8636 5.8636 6.0076 6.0076 6.1200 6.1200 6.1488 6.1488 6.5166 6.5166 6.7261 6.7261 6.7554 6.7554 7.3887 7.3887 7.5230 7.5230 7.5821 7.5821 7.6367 7.6367 7.7078 7.7078 7.7768 7.7768 7.9244 7.9244 8.0074 8.0074 8.0700 8.0700 8.0869 8.0869 8.2141 8.2141 8.3103 8.3103 8.4821 8.4821 8.6434 8.6434 9.3059 9.3059 9.5594 9.5594 9.7199 9.7199 9.8237 9.8237 9.8630 9.8630 10.1427 10.1427 k = 0.1481 0.2566-0.0000 ( 12455 PWs) bands (ev): -1.0524 -1.0524 -0.0231 -0.0231 0.0802 0.0802 0.8741 0.8741 1.0934 1.0934 1.3664 1.3664 4.5102 4.5102 4.9585 4.9585 5.0057 5.0057 5.4831 5.4831 5.7487 5.7487 5.8525 5.8525 5.9941 5.9941 6.0827 6.0827 6.1386 6.1386 6.5346 6.5346 6.7236 6.7236 6.7792 6.7792 7.4070 7.4070 7.5231 7.5231 7.5746 7.5746 7.6305 7.6305 7.6937 7.6937 7.8475 7.8475 7.9118 7.9118 8.0110 8.0110 8.0599 8.0599 8.1083 8.1083 8.1818 8.1818 8.2831 8.2831 8.4889 8.4889 8.6084 8.6084 9.3568 9.3568 9.5768 9.5768 9.7035 9.7035 9.8075 9.8075 9.8457 9.8457 10.1698 10.1698 k = 0.1358 0.2352-0.0000 ( 12451 PWs) bands (ev): -1.0813 -1.0813 0.0063 0.0063 0.0940 0.0940 0.8954 0.8954 1.0826 1.0826 1.3577 1.3577 4.4882 4.4882 4.9463 4.9463 5.0333 5.0333 5.4544 5.4544 5.7861 5.7861 5.8414 5.8414 5.9767 5.9767 6.0414 6.0414 6.1314 6.1314 6.5354 6.5354 6.7028 6.7028 6.8454 6.8454 7.4175 7.4175 7.5248 7.5248 7.5702 7.5702 7.6275 7.6275 7.6794 7.6794 7.8993 7.8993 7.9189 7.9189 8.0138 8.0138 8.0375 8.0375 8.1394 8.1394 8.1494 8.1494 8.2542 8.2542 8.4962 8.4962 8.5781 8.5781 9.4046 9.4046 9.5924 9.5924 9.6877 9.6877 9.7916 9.7916 9.8267 9.8267 10.1968 10.1968 k = 0.1235 0.2138-0.0000 ( 12439 PWs) bands (ev): -1.1081 -1.1081 0.0342 0.0342 0.1072 0.1072 0.9159 0.9159 1.0727 1.0727 1.3488 1.3488 4.4690 4.4690 4.9351 4.9351 5.0625 5.0625 5.4284 5.4284 5.8072 5.8072 5.8447 5.8447 5.9548 5.9548 5.9995 5.9995 6.1250 6.1250 6.5315 6.5315 6.6819 6.6819 6.9232 6.9232 7.4201 7.4201 7.5279 7.5279 7.5686 7.5686 7.6272 7.6272 7.6667 7.6667 7.8898 7.8898 7.9865 7.9865 8.0105 8.0105 8.0205 8.0205 8.1043 8.1043 8.1802 8.1802 8.2249 8.2249 8.5035 8.5035 8.5526 8.5526 9.4490 9.4490 9.6056 9.6056 9.6731 9.6731 9.7765 9.7765 9.8064 9.8064 10.2093 10.2094 k = 0.1111 0.1925-0.0000 ( 12443 PWs) bands (ev): -1.1326 -1.1326 0.0601 0.0601 0.1197 0.1197 0.9353 0.9353 1.0637 1.0637 1.3400 1.3400 4.4525 4.4525 4.9249 4.9249 5.0929 5.0929 5.4051 5.4051 5.7994 5.7994 5.8743 5.8743 5.9289 5.9289 5.9586 5.9586 6.1192 6.1192 6.5285 6.5285 6.6624 6.6624 7.0047 7.0047 7.4170 7.4170 7.5322 7.5322 7.5681 7.5681 7.6267 7.6267 7.6586 7.6586 7.8810 7.8810 7.9877 7.9877 8.0213 8.0213 8.0514 8.0514 8.0641 8.0641 8.1841 8.1841 8.2264 8.2264 8.5106 8.5106 8.5314 8.5314 9.4893 9.4893 9.6152 9.6152 9.6609 9.6609 9.7620 9.7620 9.7856 9.7856 10.1729 10.1729 k = 0.0988 0.1711-0.0000 ( 12449 PWs) bands (ev): -1.1548 -1.1548 0.0840 0.0840 0.1314 0.1314 0.9533 0.9533 1.0555 1.0555 1.3315 1.3315 4.4386 4.4386 4.9158 4.9158 5.1240 5.1240 5.3845 5.3845 5.7858 5.7858 5.8893 5.8893 5.9099 5.9099 5.9278 5.9278 6.1138 6.1138 6.5278 6.5278 6.6447 6.6447 7.0868 7.0868 7.4105 7.4105 7.5373 7.5373 7.5674 7.5674 7.6212 7.6212 7.6593 7.6593 7.8734 7.8734 7.9648 7.9648 8.0189 8.0189 8.0238 8.0238 8.1158 8.1158 8.1509 8.1509 8.2629 8.2629 8.5139 8.5139 8.5172 8.5172 9.5253 9.5253 9.6177 9.6177 9.6542 9.6542 9.7479 9.7479 9.7655 9.7655 10.1232 10.1232 k = 0.0864 0.1497-0.0000 ( 12461 PWs) bands (ev): -1.1746 -1.1746 0.1055 0.1055 0.1422 0.1422 0.9696 0.9696 1.0483 1.0483 1.3235 1.3235 4.4270 4.4270 4.9077 4.9077 5.1555 5.1555 5.3667 5.3667 5.7717 5.7717 5.8601 5.8601 5.8786 5.8786 5.9522 5.9522 6.1092 6.1092 6.5289 6.5289 6.6294 6.6294 7.1677 7.1677 7.4029 7.4029 7.5431 7.5431 7.5661 7.5661 7.6123 7.6123 7.6663 7.6663 7.8667 7.8667 7.9427 7.9427 7.9767 7.9767 8.0262 8.0262 8.1132 8.1132 8.1735 8.1735 8.3005 8.3005 8.4995 8.4995 8.5232 8.5232 9.5567 9.5567 9.6114 9.6114 9.6551 9.6551 9.7330 9.7330 9.7483 9.7483 10.0732 10.0732 k = 0.0741 0.1283-0.0000 ( 12451 PWs) bands (ev): -1.1918 -1.1918 0.1246 0.1246 0.1520 0.1520 0.9840 0.9840 1.0421 1.0421 1.3163 1.3163 4.4176 4.4176 4.9007 4.9007 5.1868 5.1868 5.3515 5.3515 5.7583 5.7583 5.8268 5.8268 5.8439 5.8439 5.9836 5.9836 6.1054 6.1054 6.5308 6.5308 6.6169 6.6169 7.2459 7.2459 7.3955 7.3955 7.5489 7.5489 7.5644 7.5644 7.6034 7.6034 7.6753 7.6753 7.8608 7.8608 7.9224 7.9224 7.9366 7.9366 8.0284 8.0284 8.0734 8.0734 8.2256 8.2256 8.3367 8.3367 8.4878 8.4878 8.5286 8.5286 9.5835 9.5835 9.6007 9.6007 9.6592 9.6592 9.7164 9.7164 9.7361 9.7361 10.0256 10.0256 k = 0.0617 0.1069-0.0000 ( 12459 PWs) bands (ev): -1.2066 -1.2066 0.1410 0.1410 0.1606 0.1606 0.9963 0.9963 1.0368 1.0368 1.3101 1.3101 4.4101 4.4101 4.8948 4.8948 5.2172 5.2172 5.3391 5.3391 5.7457 5.7457 5.7945 5.7945 5.8119 5.8119 6.0122 6.0122 6.1025 6.1025 6.5327 6.5327 6.6074 6.6074 7.3194 7.3194 7.3901 7.3901 7.5540 7.5540 7.5628 7.5628 7.5965 7.5965 7.6843 7.6843 7.8554 7.8554 7.8999 7.8999 7.9045 7.9045 8.0288 8.0288 8.0331 8.0331 8.2714 8.2714 8.3701 8.3701 8.4785 8.4785 8.5332 8.5332 9.5892 9.5892 9.6056 9.6056 9.6630 9.6630 9.6999 9.6999 9.7277 9.7277 9.9822 9.9822 k = 0.0494 0.0855-0.0000 ( 12475 PWs) bands (ev): -1.2187 -1.2187 0.1544 0.1544 0.1680 0.1680 1.0064 1.0064 1.0325 1.0325 1.3049 1.3049 4.4043 4.4043 4.8900 4.8900 5.2457 5.2457 5.3292 5.3292 5.7338 5.7338 5.7646 5.7646 5.7846 5.7846 6.0364 6.0364 6.1010 6.1010 6.5336 6.5336 6.6010 6.6010 7.3711 7.3711 7.4026 7.4026 7.5566 7.5566 7.5620 7.5620 7.5933 7.5933 7.6923 7.6923 7.8500 7.8500 7.8680 7.8680 7.8897 7.8897 7.9881 7.9881 8.0322 8.0322 8.3100 8.3100 8.3996 8.3996 8.4712 8.4712 8.5370 8.5370 9.5785 9.5785 9.6231 9.6231 9.6653 9.6653 9.6852 9.6852 9.7222 9.7222 9.9445 9.9445 k = 0.0370 0.0642-0.0000 ( 12473 PWs) bands (ev): -1.2281 -1.2281 0.1647 0.1647 0.1741 0.1741 1.0143 1.0143 1.0291 1.0291 1.3009 1.3009 4.4001 4.4001 4.8863 4.8863 5.2708 5.2708 5.3221 5.3221 5.7213 5.7213 5.7397 5.7397 5.7634 5.7634 6.0547 6.0547 6.1012 6.1012 6.5334 6.5334 6.5975 6.5975 7.3737 7.3737 7.4577 7.4577 7.5557 7.5557 7.5625 7.5625 7.5952 7.5952 7.6988 7.6988 7.8417 7.8417 7.8445 7.8445 7.8788 7.8788 7.9450 7.9450 8.0335 8.0335 8.3408 8.3408 8.4240 8.4240 8.4658 8.4658 8.5399 8.5399 9.5694 9.5694 9.6359 9.6359 9.6663 9.6663 9.6736 9.6736 9.7189 9.7189 9.9138 9.9138 k = 0.0247 0.0428-0.0000 ( 12463 PWs) bands (ev): -1.2349 -1.2349 0.1718 0.1718 0.1790 0.1790 1.0197 1.0197 1.0269 1.0269 1.2980 1.2980 4.3972 4.3972 4.8836 4.8836 5.2902 5.2902 5.3180 5.3180 5.7062 5.7062 5.7241 5.7241 5.7490 5.7490 6.0663 6.0663 6.1035 6.1035 6.5326 6.5326 6.5958 6.5958 7.3714 7.3714 7.5062 7.5062 7.5538 7.5538 7.5628 7.5628 7.6032 7.6032 7.7037 7.7037 7.8223 7.8223 7.8390 7.8390 7.8717 7.8717 7.9048 7.9048 8.0345 8.0345 8.3633 8.3633 8.4419 8.4419 8.4624 8.4624 8.5421 8.5421 9.5624 9.5624 9.6440 9.6440 9.6647 9.6647 9.6672 9.6672 9.7171 9.7171 9.8911 9.8911 k = 0.0123 0.0214-0.0000 ( 12455 PWs) bands (ev): -1.2389 -1.2389 0.1757 0.1757 0.1824 0.1824 1.0223 1.0223 1.0262 1.0262 1.2963 1.2963 4.3956 4.3956 4.8820 4.8820 5.3008 5.3008 5.3179 5.3179 5.6934 5.6934 5.7163 5.7163 5.7410 5.7410 6.0718 6.0718 6.1065 6.1065 6.5318 6.5318 6.5953 6.5953 7.3698 7.3698 7.5352 7.5352 7.5524 7.5524 7.5631 7.5631 7.6162 7.6162 7.7067 7.7067 7.8104 7.8104 7.8344 7.8344 7.8677 7.8677 7.8739 7.8739 8.0351 8.0351 8.3769 8.3769 8.4517 8.4517 8.4618 8.4618 8.5434 8.5434 9.5581 9.5581 9.6473 9.6473 9.6617 9.6617 9.6666 9.6666 9.7163 9.7163 9.8773 9.8773 k = 0.0000 0.0000 0.0000 ( 12431 PWs) bands (ev): -1.2403 -1.2403 0.1769 0.1769 0.1836 0.1836 1.0228 1.0228 1.0263 1.0263 1.2958 1.2958 4.3950 4.3950 4.8815 4.8815 5.3032 5.3032 5.3193 5.3193 5.6886 5.6886 5.7138 5.7138 5.7385 5.7385 6.0733 6.0733 6.1079 6.1079 6.5315 6.5315 6.5952 6.5952 7.3692 7.3692 7.5437 7.5437 7.5518 7.5518 7.5635 7.5635 7.6239 7.6239 7.7078 7.7078 7.8063 7.8063 7.8322 7.8322 7.8611 7.8611 7.8673 7.8673 8.0353 8.0353 8.3815 8.3815 8.4539 8.4539 8.4628 8.4628 8.5438 8.5438 9.5566 9.5566 9.6477 9.6477 9.6612 9.6612 9.6665 9.6665 9.7161 9.7161 9.8727 9.8727 k = 0.0000 0.0000 0.0000 ( 12431 PWs) bands (ev): -1.2403 -1.2403 0.1769 0.1769 0.1836 0.1836 1.0228 1.0228 1.0263 1.0263 1.2958 1.2958 4.3950 4.3950 4.8815 4.8815 5.3032 5.3032 5.3193 5.3193 5.6886 5.6886 5.7138 5.7138 5.7385 5.7385 6.0733 6.0733 6.1079 6.1079 6.5315 6.5315 6.5952 6.5952 7.3692 7.3692 7.5437 7.5437 7.5518 7.5518 7.5635 7.5635 7.6239 7.6239 7.7078 7.7078 7.8063 7.8063 7.8322 7.8322 7.8611 7.8611 7.8673 7.8673 8.0353 8.0353 8.3815 8.3815 8.4539 8.4539 8.4628 8.4628 8.5438 8.5438 9.5566 9.5566 9.6477 9.6477 9.6612 9.6612 9.6665 9.6665 9.7161 9.7161 9.8727 9.8727 k = 0.0000 0.0000 0.0246 ( 12449 PWs) bands (ev): -1.2389 -1.2389 0.1777 0.1777 0.1844 0.1844 1.0227 1.0227 1.0262 1.0262 1.2929 1.2929 4.3970 4.3970 4.8842 4.8842 5.2988 5.2988 5.3143 5.3143 5.6902 5.6902 5.7138 5.7138 5.7383 5.7383 6.0790 6.0790 6.1130 6.1130 6.5321 6.5321 6.5958 6.5958 7.3685 7.3685 7.5427 7.5427 7.5498 7.5498 7.5614 7.5614 7.6226 7.6226 7.7075 7.7075 7.7962 7.7962 7.8327 7.8327 7.8636 7.8636 7.8678 7.8678 8.0336 8.0336 8.3908 8.3908 8.4547 8.4547 8.4635 8.4635 8.5463 8.5463 9.5579 9.5579 9.6482 9.6482 9.6612 9.6612 9.6664 9.6664 9.7161 9.7161 9.8629 9.8629 k = 0.0000 0.0000 0.0492 ( 12419 PWs) bands (ev): -1.2346 -1.2346 0.1801 0.1801 0.1868 0.1868 1.0224 1.0224 1.0259 1.0259 1.2844 1.2844 4.4028 4.4028 4.8925 4.8925 5.2861 5.2861 5.2999 5.2999 5.6952 5.6952 5.7135 5.7135 5.7376 5.7376 6.0958 6.0958 6.1277 6.1277 6.5338 6.5338 6.5977 6.5977 7.3665 7.3665 7.5397 7.5397 7.5437 7.5437 7.5550 7.5550 7.6189 7.6189 7.7065 7.7065 7.7674 7.7674 7.8342 7.8342 7.8693 7.8693 7.8709 7.8709 8.0287 8.0287 8.4168 8.4168 8.4569 8.4569 8.4654 8.4654 8.5538 8.5538 9.5619 9.5619 9.6496 9.6496 9.6609 9.6609 9.6664 9.6664 9.7161 9.7161 9.8353 9.8353 k = 0.0000 0.0000 0.0739 ( 12419 PWs) bands (ev): -1.2276 -1.2276 0.1841 0.1841 0.1908 0.1908 1.0218 1.0218 1.0253 1.0253 1.2702 1.2702 4.4126 4.4126 4.9062 4.9062 5.2661 5.2661 5.2774 5.2774 5.7035 5.7035 5.7130 5.7130 5.7365 5.7365 6.1222 6.1222 6.1510 6.1510 6.5367 6.5367 6.6007 6.6007 7.3632 7.3632 7.5337 7.5337 7.5348 7.5348 7.5444 7.5444 7.6130 7.6130 7.7048 7.7048 7.7241 7.7241 7.8367 7.8367 7.8719 7.8719 7.8831 7.8831 8.0209 8.0209 8.4546 8.4546 8.4605 8.4605 8.4695 8.4695 8.5663 8.5663 9.5684 9.5684 9.6519 9.6519 9.6591 9.6591 9.6663 9.6663 9.7163 9.7163 9.7947 9.7947 k = 0.0000 0.0000 0.0985 ( 12419 PWs) bands (ev): -1.2177 -1.2177 0.1897 0.1897 0.1964 0.1964 1.0210 1.0210 1.0244 1.0244 1.2507 1.2507 4.4261 4.4261 4.9251 4.9251 5.2403 5.2403 5.2488 5.2488 5.7120 5.7120 5.7151 5.7151 5.7348 5.7348 6.1562 6.1562 6.1814 6.1814 6.5406 6.5406 6.6050 6.6050 7.3584 7.3584 7.5198 7.5198 7.5281 7.5281 7.5298 7.5298 7.6051 7.6051 7.6704 7.6704 7.7023 7.7023 7.8402 7.8402 7.8755 7.8755 7.9000 7.9000 8.0104 8.0104 8.4652 8.4652 8.4706 8.4706 8.5050 8.5050 8.5838 8.5838 9.5771 9.5771 9.6512 9.6512 9.6551 9.6551 9.6666 9.6666 9.7168 9.7168 9.7500 9.7500 k = 0.0000 0.0000 0.1231 ( 12419 PWs) bands (ev): -1.2050 -1.2050 0.1969 0.1969 0.2036 0.2036 1.0198 1.0198 1.0232 1.0232 1.2259 1.2259 4.4435 4.4435 4.9492 4.9492 5.2104 5.2104 5.2158 5.2158 5.7105 5.7105 5.7298 5.7298 5.7324 5.7324 6.1962 6.1962 6.2175 6.2175 6.5456 6.5456 6.6103 6.6103 7.3520 7.3520 7.5024 7.5024 7.5115 7.5115 7.5199 7.5199 7.5956 7.5956 7.6095 7.6095 7.6988 7.6988 7.8447 7.8447 7.8802 7.8802 7.9213 7.9213 7.9978 7.9978 8.4707 8.4707 8.4752 8.4752 8.5581 8.5581 8.6062 8.6062 9.5879 9.5879 9.6245 9.6245 9.6587 9.6587 9.6673 9.6673 9.7175 9.7175 9.7177 9.7177 k = 0.0000 0.0000 0.1477 ( 12414 PWs) bands (ev): -1.1895 -1.1895 0.2057 0.2057 0.2123 0.2123 1.0183 1.0183 1.0216 1.0216 1.1961 1.1961 4.4646 4.4646 4.9781 4.9781 5.1778 5.1778 5.1801 5.1801 5.7081 5.7081 5.7291 5.7291 5.7477 5.7477 6.2403 6.2403 6.2577 6.2577 6.5515 6.5515 6.6167 6.6167 7.3440 7.3440 7.4818 7.4818 7.4899 7.4899 7.5103 7.5103 7.5436 7.5436 7.5848 7.5848 7.6938 7.6938 7.8502 7.8502 7.8859 7.8859 7.9468 7.9468 7.9838 7.9838 8.4767 8.4767 8.4797 8.4797 8.6151 8.6151 8.6334 8.6334 9.5728 9.5728 9.6003 9.6003 9.6623 9.6623 9.6693 9.6693 9.7065 9.7065 9.7192 9.7192 k = 0.0000 0.0000 0.1724 ( 12420 PWs) bands (ev): -1.1713 -1.1713 0.2160 0.2160 0.2225 0.2225 1.0163 1.0163 1.0196 1.0196 1.1616 1.1616 4.4894 4.4894 5.0117 5.0117 5.1432 5.1432 5.1437 5.1437 5.7047 5.7047 5.7246 5.7246 5.7687 5.7687 6.2871 6.2871 6.3008 6.3008 6.5583 6.5583 6.6240 6.6240 7.3340 7.3340 7.4587 7.4587 7.4655 7.4655 7.4738 7.4738 7.5002 7.5002 7.5730 7.5730 7.6870 7.6870 7.8566 7.8566 7.8927 7.8927 7.9691 7.9691 7.9760 7.9760 8.4827 8.4827 8.4840 8.4840 8.6654 8.6654 8.6743 8.6743 9.5091 9.5091 9.6141 9.6141 9.6649 9.6649 9.6732 9.6732 9.7064 9.7064 9.7215 9.7215 k = 0.0000 0.0000 0.1970 ( 12414 PWs) bands (ev): -1.1503 -1.1503 0.2278 0.2278 0.2343 0.2343 1.0138 1.0138 1.0169 1.0169 1.1226 1.1226 4.5177 4.5177 5.0497 5.0497 5.1062 5.1062 5.1094 5.1094 5.7000 5.7000 5.7188 5.7188 5.7926 5.7926 6.3353 6.3353 6.3455 6.3455 6.5657 6.5657 6.6320 6.6320 7.3214 7.3214 7.4026 7.4026 7.4338 7.4338 7.4391 7.4391 7.4888 7.4888 7.5604 7.5604 7.6775 7.6775 7.8639 7.8639 7.9005 7.9005 7.9546 7.9546 8.0083 8.0083 8.4879 8.4879 8.4885 8.4885 8.7019 8.7019 8.7347 8.7347 9.4422 9.4422 9.6290 9.6290 9.6671 9.6671 9.6787 9.6787 9.7102 9.7102 9.7248 9.7248 k = 0.0000 0.0000 0.2216 ( 12426 PWs) bands (ev): -1.1266 -1.1266 0.2410 0.2410 0.2475 0.2475 1.0106 1.0106 1.0137 1.0137 1.0796 1.0796 4.5496 4.5496 5.0700 5.0700 5.0756 5.0756 5.0918 5.0918 5.6938 5.6938 5.7114 5.7114 5.8195 5.8195 6.3841 6.3841 6.3910 6.3910 6.5738 6.5738 6.6407 6.6407 7.3007 7.3007 7.3355 7.3355 7.4077 7.4077 7.4114 7.4114 7.4770 7.4770 7.5473 7.5473 7.6649 7.6649 7.8720 7.8720 7.9094 7.9094 7.9413 7.9413 8.0429 8.0429 8.4909 8.4909 8.4935 8.4935 8.7430 8.7430 8.7957 8.7957 9.3760 9.3760 9.6444 9.6444 9.6695 9.6695 9.6849 9.6849 9.7159 9.7159 9.7293 9.7293 k = 0.0000 0.0000 0.2462 ( 12450 PWs) bands (ev): -1.1003 -1.1003 0.2557 0.2557 0.2621 0.2621 1.0067 1.0067 1.0097 1.0097 1.0329 1.0329 4.5848 4.5848 5.0354 5.0354 5.0431 5.0431 5.1377 5.1377 5.6857 5.6857 5.7020 5.7020 5.8491 5.8491 6.4325 6.4325 6.4365 6.4365 6.5823 6.5823 6.6499 6.6499 7.2432 7.2432 7.3016 7.3016 7.3812 7.3812 7.3833 7.3833 7.4650 7.4650 7.5340 7.5340 7.6486 7.6486 7.8804 7.8804 7.9194 7.9194 7.9301 7.9301 8.0785 8.0785 8.4927 8.4927 8.4975 8.4975 8.7883 8.7883 8.8569 8.8569 9.3132 9.3132 9.6599 9.6599 9.6723 9.6723 9.6914 9.6914 9.7225 9.7225 9.7353 9.7353 k = 0.0000 0.0000 0.2708 ( 12456 PWs) bands (ev): -1.0714 -1.0714 0.2717 0.2717 0.2781 0.2781 0.9827 0.9827 1.0020 1.0020 1.0048 1.0048 4.6233 4.6233 5.0029 5.0029 5.0126 5.0126 5.1872 5.1872 5.6755 5.6755 5.6903 5.6903 5.8814 5.8814 6.4798 6.4798 6.4811 6.4811 6.5910 6.5910 6.6593 6.6593 7.1680 7.1680 7.2819 7.2819 7.3554 7.3554 7.3557 7.3557 7.4531 7.4531 7.5208 7.5208 7.6282 7.6282 7.8881 7.8881 7.9226 7.9226 7.9305 7.9305 8.1136 8.1136 8.4932 8.4932 8.5001 8.5001 8.8377 8.8377 8.9180 8.9180 9.2563 9.2563 9.6749 9.6749 9.6755 9.6755 9.6979 9.6979 9.7295 9.7295 9.7433 9.7433 k = 0.0000 0.0000 0.2955 ( 12438 PWs) bands (ev): -1.0399 -1.0399 0.2891 0.2891 0.2954 0.2954 0.9295 0.9295 0.9964 0.9964 0.9990 0.9990 4.6650 4.6650 4.9730 4.9730 4.9845 4.9845 5.2398 5.2398 5.6628 5.6628 5.6762 5.6762 5.9162 5.9162 6.5244 6.5244 6.5252 6.5252 6.5999 6.5999 6.6689 6.6689 7.0902 7.0902 7.2618 7.2618 7.3295 7.3295 7.3309 7.3309 7.4416 7.4416 7.5078 7.5078 7.6036 7.6036 7.8922 7.8922 7.9218 7.9218 7.9426 7.9426 8.1462 8.1462 8.4921 8.4921 8.5011 8.5011 8.8909 8.8909 8.9787 8.9787 9.2078 9.2078 9.6792 9.6792 9.6889 9.6889 9.7042 9.7042 9.7366 9.7366 9.7536 9.7536 k = 0.0000 0.0000 0.3201 ( 12444 PWs) bands (ev): -1.0058 -1.0058 0.3078 0.3078 0.3140 0.3140 0.8736 0.8736 0.9898 0.9898 0.9922 0.9922 4.7097 4.7097 4.9463 4.9463 4.9593 4.9593 5.2954 5.2954 5.6474 5.6474 5.6592 5.6592 5.9534 5.9534 6.5656 6.5656 6.5682 6.5682 6.6088 6.6088 6.6784 6.6784 7.0112 7.0112 7.2396 7.2396 7.3055 7.3055 7.3086 7.3086 7.4307 7.4307 7.4953 7.4953 7.5751 7.5751 7.8916 7.8916 7.9287 7.9287 7.9558 7.9558 8.1740 8.1740 8.4891 8.4891 8.5002 8.5002 8.9476 8.9476 9.0387 9.0387 9.1706 9.1706 9.6831 9.6831 9.7013 9.7013 9.7100 9.7100 9.7434 9.7434 9.7665 9.7665 k = 0.0000 0.0000 0.3447 ( 12444 PWs) bands (ev): -0.9693 -0.9693 0.3276 0.3276 0.3338 0.3338 0.8152 0.8152 0.9821 0.9821 0.9842 0.9842 4.7572 4.7572 4.9230 4.9230 4.9374 4.9374 5.3536 5.3536 5.6291 5.6291 5.6393 5.6393 5.9928 5.9928 6.6041 6.6041 6.6081 6.6081 6.6176 6.6176 6.6878 6.6878 6.9315 6.9315 7.2150 7.2150 7.2846 7.2846 7.2892 7.2892 7.4208 7.4208 7.4835 7.4835 7.5430 7.5430 7.8889 7.8889 7.9402 7.9402 7.9700 7.9700 8.1946 8.1946 8.4842 8.4842 8.4974 8.4974 9.0074 9.0074 9.0978 9.0978 9.1477 9.1477 9.6873 9.6873 9.7119 9.7119 9.7150 9.7150 9.7495 9.7495 9.7821 9.7821 k = 0.0000 0.0000 0.3693 ( 12438 PWs) bands (ev): -0.9304 -0.9304 0.3486 0.3486 0.3547 0.3547 0.7546 0.7546 0.9731 0.9731 0.9751 0.9751 4.8076 4.8076 4.9035 4.9035 4.9190 4.9190 5.4140 5.4140 5.6075 5.6075 5.6164 5.6164 6.0344 6.0344 6.6261 6.6261 6.6393 6.6393 6.6441 6.6441 6.6971 6.6971 6.8517 6.8517 7.1877 7.1877 7.2673 7.2673 7.2731 7.2731 7.4120 7.4120 7.4726 7.4726 7.5076 7.5076 7.8862 7.8862 7.9541 7.9541 7.9852 7.9852 8.2057 8.2057 8.4773 8.4773 8.4926 8.4926 9.0697 9.0697 9.1385 9.1385 9.1586 9.1586 9.6914 9.6914 9.7191 9.7191 9.7207 9.7207 9.7548 9.7548 9.8000 9.8000 k = 0.0000 0.0000 0.3940 ( 12432 PWs) bands (ev): -0.8891 -0.8891 0.3707 0.3707 0.3767 0.3767 0.6923 0.6923 0.9629 0.9629 0.9646 0.9646 4.8606 4.8606 4.8880 4.8880 4.9044 4.9044 5.4756 5.4756 5.5827 5.5827 5.5912 5.5912 6.0778 6.0778 6.6345 6.6345 6.6700 6.6700 6.6747 6.6747 6.7070 6.7070 6.7730 6.7730 7.1575 7.1575 7.2542 7.2542 7.2609 7.2609 7.4046 7.4046 7.4626 7.4626 7.4695 7.4695 7.8839 7.8839 7.9694 7.9694 8.0013 8.0013 8.2064 8.2064 8.4683 8.4683 8.4857 8.4857 9.1341 9.1341 9.1503 9.1503 9.2149 9.2149 9.6954 9.6954 9.7221 9.7221 9.7282 9.7282 9.7590 9.7590 9.8196 9.8196 k = 0.0000 0.0000 0.4186 ( 12444 PWs) bands (ev): -0.8455 -0.8455 0.3938 0.3938 0.3996 0.3996 0.6284 0.6284 0.9514 0.9514 0.9528 0.9528 4.8766 4.8766 4.8938 4.8938 4.9161 4.9161 5.5295 5.5295 5.5547 5.5547 5.5725 5.5725 6.1230 6.1230 6.6427 6.6427 6.6756 6.6756 6.6939 6.6939 6.7195 6.7195 6.7196 6.7196 7.1242 7.1242 7.2455 7.2455 7.2527 7.2527 7.3985 7.3985 7.4288 7.4288 7.4537 7.4537 7.8821 7.8821 7.9859 7.9859 8.0184 8.0184 8.1971 8.1971 8.4573 8.4573 8.4768 8.4768 9.1780 9.1780 9.1999 9.1999 9.2710 9.2710 9.6990 9.6990 9.7239 9.7239 9.7344 9.7344 9.7620 9.7620 9.8405 9.8405 k = 0.0000 0.0000 0.4432 ( 12468 PWs) bands (ev): -0.7997 -0.7997 0.4178 0.4178 0.4234 0.4234 0.5633 0.5633 0.9386 0.9386 0.9397 0.9397 4.8695 4.8695 4.8874 4.8874 4.9739 4.9739 5.5196 5.5196 5.5235 5.5235 5.6162 5.6162 6.1696 6.1696 6.6034 6.6034 6.6508 6.6508 6.7086 6.7086 6.7343 6.7343 6.7371 6.7371 7.0878 7.0878 7.2412 7.2412 7.2483 7.2483 7.3861 7.3861 7.3940 7.3940 7.4458 7.4458 7.8808 7.8808 8.0034 8.0034 8.0363 8.0363 8.1793 8.1793 8.4444 8.4444 8.4660 8.4660 9.2208 9.2208 9.2662 9.2662 9.3258 9.3258 9.7022 9.7022 9.7246 9.7246 9.7395 9.7395 9.7638 9.7638 9.8622 9.8622 k = 0.0000 0.0000 0.4678 ( 12450 PWs) bands (ev): -0.7518 -0.7518 0.4426 0.4426 0.4481 0.4481 0.4971 0.4971 0.9243 0.9243 0.9251 0.9251 4.8668 4.8668 4.8852 4.8852 5.0340 5.0340 5.4859 5.4859 5.4894 5.4894 5.6823 5.6823 6.2175 6.2175 6.5235 6.5235 6.6589 6.6589 6.7178 6.7178 6.7523 6.7523 6.7557 6.7557 7.0482 7.0482 7.2411 7.2411 7.2473 7.2473 7.3418 7.3418 7.3907 7.3907 7.4388 7.4388 7.8799 7.8799 8.0218 8.0218 8.0549 8.0549 8.1555 8.1555 8.4299 8.4299 8.4535 8.4535 9.2760 9.2760 9.3321 9.3321 9.3789 9.3789 9.7049 9.7049 9.7241 9.7241 9.7435 9.7435 9.7644 9.7644 9.8841 9.8841 k = 0.0000 0.0000 0.4924 ( 12474 PWs) bands (ev): -0.7018 -0.7018 0.4301 0.4301 0.4681 0.4681 0.4734 0.4734 0.9087 0.9087 0.9091 0.9091 4.8686 4.8686 4.8873 4.8873 5.0961 5.0961 5.4481 5.4481 5.4526 5.4526 5.7513 5.7513 6.2661 6.2661 6.4428 6.4428 6.6672 6.6672 6.7253 6.7253 6.7665 6.7665 6.7720 6.7720 7.0055 7.0055 7.2449 7.2449 7.2483 7.2483 7.2972 7.2972 7.3885 7.3885 7.4325 7.4325 7.8794 7.8794 8.0409 8.0409 8.0743 8.0743 8.1280 8.1280 8.4138 8.4138 8.4393 8.4393 9.3403 9.3403 9.3965 9.3965 9.4300 9.4300 9.7068 9.7068 9.7227 9.7227 9.7466 9.7466 9.7640 9.7640 9.9056 9.9056 k = 0.0000 0.0000 0.5171 ( 12480 PWs) bands (ev): -0.6498 -0.6498 0.3626 0.3626 0.4942 0.4942 0.4993 0.4993 0.8917 0.8917 0.8918 0.8918 4.8748 4.8748 4.8937 4.8937 5.1601 5.1601 5.4079 5.4079 5.4137 5.4137 5.8218 5.8218 6.3148 6.3148 6.3623 6.3623 6.6757 6.6757 6.7322 6.7322 6.7765 6.7765 6.7849 6.7849 6.9601 6.9601 7.2361 7.2361 7.2520 7.2520 7.2673 7.2673 7.3870 7.3870 7.4267 7.4267 7.8796 7.8796 8.0606 8.0606 8.0943 8.0943 8.0988 8.0988 8.3965 8.3965 8.4236 8.4236 9.4109 9.4109 9.4583 9.4583 9.4789 9.4789 9.7081 9.7081 9.7206 9.7206 9.7488 9.7488 9.7630 9.7630 9.9260 9.9260 k = 0.0000 0.0000 0.5417 ( 12474 PWs) bands (ev): -0.5960 -0.5960 0.2947 0.2947 0.5207 0.5207 0.5257 0.5257 0.8730 0.8730 0.8733 0.8733 4.8853 4.8853 4.9044 4.9044 5.2256 5.2256 5.3662 5.3662 5.3731 5.3731 5.8933 5.8933 6.2809 6.2809 6.3642 6.3642 6.6846 6.6846 6.7390 6.7390 6.7823 6.7823 6.7944 6.7944 6.9129 6.9129 7.1924 7.1924 7.2618 7.2618 7.2701 7.2701 7.3858 7.3858 7.4210 7.4210 7.8803 7.8803 8.0696 8.0696 8.0810 8.0810 8.1149 8.1149 8.3781 8.3781 8.4067 8.4067 9.4844 9.4844 9.5160 9.5160 9.5255 9.5255 9.7087 9.7087 9.7181 9.7181 9.7501 9.7501 9.7616 9.7616 9.9446 9.9446 k = 0.0000 0.0000 0.5663 ( 12450 PWs) bands (ev): -0.5403 -0.5403 0.2267 0.2267 0.5477 0.5477 0.5524 0.5524 0.8530 0.8530 0.8536 0.8536 4.9002 4.9002 4.9192 4.9192 5.2896 5.2896 5.3265 5.3265 5.3312 5.3312 5.9653 5.9653 6.2007 6.2007 6.4109 6.4109 6.6938 6.6938 6.7459 6.7459 6.7837 6.7837 6.8006 6.8006 6.8657 6.8657 7.1427 7.1427 7.2738 7.2738 7.2795 7.2795 7.3843 7.3843 7.4151 7.4151 7.8820 7.8820 8.0414 8.0414 8.1018 8.1018 8.1359 8.1359 8.3588 8.3588 8.3886 8.3886 9.5547 9.5547 9.5684 9.5684 9.5727 9.5727 9.7087 9.7087 9.7155 9.7155 9.7507 9.7507 9.7605 9.7605 9.9603 9.9603 k = 0.0000 0.0000 0.5909 ( 12414 PWs) bands (ev): -0.4830 -0.4830 0.1587 0.1587 0.5749 0.5749 0.5794 0.5794 0.8317 0.8317 0.8327 0.8327 4.9192 4.9192 4.9380 4.9380 5.2761 5.2761 5.2887 5.2887 5.3655 5.3655 6.0376 6.0376 6.1208 6.1208 6.4533 6.4533 6.7033 6.7033 6.7531 6.7531 6.7790 6.7790 6.8038 6.8038 6.8236 6.8236 7.0915 7.0915 7.2874 7.2874 7.2909 7.2909 7.3822 7.3822 7.4086 7.4086 7.8847 7.8847 8.0152 8.0152 8.1230 8.1230 8.1572 8.1572 8.3388 8.3388 8.3697 8.3697 9.6022 9.6022 9.6141 9.6141 9.6361 9.6361 9.7082 9.7082 9.7129 9.7129 9.7508 9.7508 9.7606 9.7606 9.9719 9.9719 k = 0.0000 0.0000 0.6156 ( 12432 PWs) bands (ev): -0.4240 -0.4240 0.0910 0.0910 0.6023 0.6023 0.6064 0.6064 0.8093 0.8093 0.8107 0.8107 4.9422 4.9422 4.9608 4.9608 5.2332 5.2332 5.2461 5.2461 5.4353 5.4353 6.0414 6.0414 6.1097 6.1097 6.4857 6.4857 6.7130 6.7130 6.7604 6.7604 6.7618 6.7618 6.7989 6.7989 6.8045 6.8045 7.0396 7.0396 7.3019 7.3019 7.3034 7.3034 7.3790 7.3790 7.4012 7.4012 7.8886 7.8886 7.9912 7.9912 8.1445 8.1445 8.1788 8.1788 8.3181 8.3181 8.3499 8.3499 9.6372 9.6372 9.6518 9.6518 9.6991 9.6991 9.7073 9.7073 9.7106 9.7106 9.7505 9.7505 9.7657 9.7657 9.9782 9.9782 k = 0.0000 0.0000 0.6402 ( 12450 PWs) bands (ev): -0.3636 -0.3636 0.0236 0.0236 0.6296 0.6296 0.6335 0.6335 0.7858 0.7858 0.7876 0.7876 4.9689 4.9689 4.9871 4.9871 5.1901 5.1901 5.2039 5.2039 5.5071 5.5071 5.9625 5.9625 6.1812 6.1812 6.4979 6.4979 6.7228 6.7228 6.7446 6.7446 6.7678 6.7678 6.7901 6.7901 6.8030 6.8030 6.9874 6.9874 7.3161 7.3161 7.3168 7.3168 7.3744 7.3744 7.3927 7.3927 7.8941 7.8941 7.9698 7.9698 8.1662 8.1662 8.2005 8.2005 8.2970 8.2970 8.3296 8.3296 9.6659 9.6659 9.6804 9.6804 9.7063 9.7063 9.7087 9.7087 9.7357 9.7357 9.7502 9.7502 9.7929 9.7929 9.9778 9.9778 k = 0.0000 0.0000 0.6648 ( 12456 PWs) bands (ev): -0.3017 -0.3017 -0.0432 -0.0432 0.6568 0.6568 0.6603 0.6603 0.7614 0.7614 0.7635 0.7635 4.9991 4.9991 5.0168 5.0168 5.1480 5.1480 5.1627 5.1627 5.5804 5.5804 5.8844 5.8844 6.2513 6.2513 6.4808 6.4808 6.7325 6.7325 6.7459 6.7459 6.7752 6.7752 6.7885 6.7885 6.7996 6.7996 6.9357 6.9357 7.3286 7.3286 7.3316 7.3316 7.3682 7.3682 7.3830 7.3830 7.9012 7.9012 7.9511 7.9511 8.1881 8.1881 8.2224 8.2224 8.2756 8.2756 8.3087 8.3087 9.6879 9.6879 9.6994 9.6994 9.7056 9.7056 9.7072 9.7072 9.7445 9.7445 9.7500 9.7500 9.8413 9.8413 9.9693 9.9693 k = 0.0000 0.0000 0.6894 ( 12426 PWs) bands (ev): -0.2387 -0.2387 -0.1092 -0.1092 0.6837 0.6837 0.6869 0.6869 0.7361 0.7361 0.7387 0.7387 5.0325 5.0325 5.0496 5.0496 5.1073 5.1073 5.1230 5.1230 5.6549 5.6549 5.8070 5.8070 6.3190 6.3190 6.4388 6.4388 6.7416 6.7416 6.7523 6.7523 6.7823 6.7823 6.7948 6.7948 6.8035 6.8035 6.8857 6.8857 7.3404 7.3404 7.3459 7.3459 7.3604 7.3604 7.3718 7.3718 7.9103 7.9103 7.9351 7.9351 8.2101 8.2101 8.2442 8.2442 8.2539 8.2539 8.2875 8.2875 9.7025 9.7025 9.7052 9.7052 9.7061 9.7061 9.7088 9.7088 9.7476 9.7476 9.7500 9.7500 9.8871 9.8871 9.9518 9.9518 k = 0.0000 0.0000 0.7140 ( 12420 PWs) bands (ev): -0.1744 -0.1744 -0.1744 -0.1744 0.7102 0.7102 0.7102 0.7102 0.7131 0.7131 0.7131 0.7131 5.0687 5.0687 5.0687 5.0687 5.0851 5.0851 5.0851 5.0851 5.7304 5.7304 5.7304 5.7304 6.3826 6.3826 6.3826 6.3826 6.7492 6.7492 6.7492 6.7492 6.7889 6.7889 6.7889 6.7889 6.8397 6.8397 6.8397 6.8397 7.3511 7.3511 7.3511 7.3511 7.3594 7.3594 7.3594 7.3594 7.9215 7.9215 7.9215 7.9215 8.2320 8.2320 8.2320 8.2320 8.2659 8.2659 8.2659 8.2659 9.7054 9.7054 9.7054 9.7054 9.7095 9.7095 9.7095 9.7095 9.7493 9.7493 9.7493 9.7493 9.9244 9.9244 9.9244 9.9244 k = 0.0000 0.0000 0.7140 ( 12420 PWs) bands (ev): -0.1744 -0.1744 -0.1744 -0.1744 0.7102 0.7102 0.7102 0.7102 0.7131 0.7131 0.7131 0.7131 5.0687 5.0687 5.0687 5.0687 5.0851 5.0851 5.0851 5.0851 5.7304 5.7304 5.7304 5.7304 6.3826 6.3826 6.3826 6.3826 6.7492 6.7492 6.7492 6.7492 6.7889 6.7889 6.7889 6.7889 6.8397 6.8397 6.8397 6.8397 7.3511 7.3511 7.3511 7.3511 7.3594 7.3594 7.3594 7.3594 7.9215 7.9215 7.9215 7.9215 8.2320 8.2320 8.2320 8.2320 8.2659 8.2659 8.2659 8.2659 9.7054 9.7054 9.7054 9.7054 9.7095 9.7095 9.7095 9.7095 9.7493 9.7493 9.7493 9.7493 9.9244 9.9244 9.9244 9.9244 k = 0.0217 0.0126 0.7140 ( 12420 PWs) bands (ev): -0.1734 -0.1734 -0.1734 -0.1734 0.7095 0.7095 0.7095 0.7095 0.7124 0.7124 0.7124 0.7124 5.0661 5.0661 5.0662 5.0662 5.0826 5.0826 5.0827 5.0827 5.7364 5.7364 5.7364 5.7364 6.3822 6.3822 6.3822 6.3822 6.7362 6.7362 6.7376 6.7376 6.7792 6.7792 6.7811 6.7811 6.8600 6.8600 6.8605 6.8605 7.3522 7.3522 7.3525 7.3525 7.3610 7.3610 7.3613 7.3613 7.9221 7.9221 7.9221 7.9221 8.2332 8.2332 8.2332 8.2332 8.2671 8.2671 8.2671 8.2671 9.7029 9.7029 9.7035 9.7035 9.7115 9.7115 9.7123 9.7123 9.7493 9.7493 9.7495 9.7495 9.9236 9.9236 9.9236 9.9236 k = 0.0435 0.0251 0.7140 ( 12460 PWs) bands (ev): -0.1703 -0.1703 -0.1703 -0.1703 0.7073 0.7073 0.7076 0.7076 0.7103 0.7103 0.7106 0.7106 5.0580 5.0580 5.0585 5.0585 5.0757 5.0757 5.0762 5.0762 5.7537 5.7537 5.7537 5.7537 6.3802 6.3802 6.3804 6.3804 6.7030 6.7030 6.7074 6.7074 6.7722 6.7722 6.7782 6.7782 6.8949 6.8949 6.8968 6.8968 7.3547 7.3547 7.3565 7.3565 7.3659 7.3659 7.3677 7.3677 7.9240 7.9240 7.9241 7.9241 8.2365 8.2365 8.2370 8.2370 8.2703 8.2703 8.2708 8.2708 9.6979 9.6979 9.7003 9.7003 9.7142 9.7142 9.7177 9.7177 9.7494 9.7494 9.7506 9.7506 9.9213 9.9213 9.9213 9.9213 k = 0.0652 0.0377 0.7140 ( 12454 PWs) bands (ev): -0.1651 -0.1651 -0.1651 -0.1651 0.7036 0.7036 0.7045 0.7045 0.7066 0.7066 0.7076 0.7076 5.0439 5.0439 5.0453 5.0453 5.0662 5.0662 5.0675 5.0675 5.7810 5.7810 5.7813 5.7813 6.3748 6.3748 6.3757 6.3757 6.6653 6.6653 6.6728 6.6728 6.7699 6.7699 6.7797 6.7797 6.9311 6.9311 6.9343 6.9343 7.3579 7.3579 7.3617 7.3617 7.3750 7.3750 7.3788 7.3788 7.9272 7.9272 7.9273 7.9273 8.2418 8.2418 8.2435 8.2435 8.2756 8.2756 8.2772 8.2772 9.6914 9.6914 9.6954 9.6954 9.7168 9.7168 9.7246 9.7246 9.7501 9.7501 9.7537 9.7537 9.9175 9.9175 9.9178 9.9178 k = 0.0870 0.0502 0.7140 ( 12454 PWs) bands (ev): -0.1579 -0.1579 -0.1579 -0.1579 0.6982 0.6982 0.7000 0.7000 0.7018 0.7018 0.7036 0.7036 5.0250 5.0250 5.0273 5.0273 5.0552 5.0552 5.0573 5.0573 5.8168 5.8168 5.8173 5.8173 6.3633 6.3633 6.3652 6.3652 6.6309 6.6309 6.6414 6.6414 6.7701 6.7701 6.7832 6.7832 6.9662 6.9662 6.9705 6.9705 7.3620 7.3620 7.3676 7.3676 7.3882 7.3882 7.3938 7.3938 7.9315 7.9315 7.9317 7.9317 8.2488 8.2488 8.2526 8.2526 8.2827 8.2827 8.2863 8.2863 9.6830 9.6830 9.6878 9.6878 9.7192 9.7192 9.7309 9.7309 9.7534 9.7534 9.7597 9.7597 9.9125 9.9125 9.9131 9.9131 k = 0.1087 0.0628 0.7140 ( 12470 PWs) bands (ev): -0.1487 -0.1487 -0.1487 -0.1487 0.6911 0.6911 0.6933 0.6933 0.6966 0.6966 0.6989 0.6989 5.0029 5.0029 5.0061 5.0061 5.0429 5.0429 5.0457 5.0457 5.8592 5.8592 5.8602 5.8602 6.3431 6.3431 6.3463 6.3463 6.6036 6.6036 6.6169 6.6169 6.7725 6.7725 6.7885 6.7885 6.9998 6.9998 7.0051 7.0051 7.3671 7.3671 7.3742 7.3742 7.4049 7.4049 7.4120 7.4120 7.9371 7.9371 7.9374 7.9374 8.2572 8.2572 8.2645 8.2645 8.2917 8.2917 8.2983 8.2983 9.6722 9.6722 9.6769 9.6769 9.7216 9.7216 9.7343 9.7343 9.7621 9.7621 9.7692 9.7692 9.9064 9.9064 9.9077 9.9077 k = 0.1304 0.0753 0.7140 ( 12484 PWs) bands (ev): -0.1374 -0.1374 -0.1374 -0.1374 0.6821 0.6821 0.6844 0.6844 0.6911 0.6911 0.6934 0.6934 4.9791 4.9791 4.9830 4.9830 5.0299 5.0299 5.0333 5.0333 5.9065 5.9065 5.9082 5.9082 6.3132 6.3132 6.3174 6.3174 6.5849 6.5849 6.6003 6.6003 6.7776 6.7776 6.7960 6.7960 7.0319 7.0319 7.0381 7.0381 7.3730 7.3730 7.3814 7.3814 7.4239 7.4239 7.4324 7.4324 7.9438 7.9438 7.9443 7.9443 8.2670 8.2670 8.2786 8.2786 8.3025 8.3025 8.3132 8.3132 9.6586 9.6586 9.6623 9.6623 9.7241 9.7241 9.7354 9.7354 9.7758 9.7758 9.7816 9.7816 9.8996 9.8996 9.9019 9.9019 k = 0.1522 0.0879 0.7140 ( 12504 PWs) bands (ev): -0.1243 -0.1243 -0.1243 -0.1243 0.6713 0.6713 0.6735 0.6735 0.6851 0.6851 0.6874 0.6874 4.9546 4.9546 4.9592 4.9592 5.0165 5.0165 5.0204 5.0204 5.9569 5.9569 5.9598 5.9598 6.2750 6.2750 6.2799 6.2799 6.5736 6.5736 6.5900 6.5900 6.7856 6.7856 6.8057 6.8057 7.0631 7.0631 7.0698 7.0698 7.3797 7.3797 7.3892 7.3892 7.4447 7.4447 7.4543 7.4543 7.9517 7.9517 7.9525 7.9525 8.2779 8.2779 8.2944 8.2944 8.3156 8.3156 8.3308 8.3308 9.6416 9.6416 9.6439 9.6439 9.7270 9.7270 9.7359 9.7359 9.7929 9.7929 9.7965 9.7965 9.8926 9.8926 9.8964 9.8964 k = 0.1739 0.1004 0.7140 ( 12504 PWs) bands (ev): -0.1093 -0.1093 -0.1093 -0.1093 0.6587 0.6587 0.6608 0.6608 0.6788 0.6788 0.6810 0.6810 4.9300 4.9300 4.9353 4.9353 5.0034 5.0034 5.0077 5.0077 6.0084 6.0084 6.0129 6.0129 6.2317 6.2317 6.2373 6.2373 6.5672 6.5672 6.5836 6.5836 6.7966 6.7966 6.8176 6.8176 7.0936 7.0936 7.1006 7.1006 7.3869 7.3869 7.3973 7.3973 7.4664 7.4664 7.4771 7.4771 7.9607 7.9607 7.9619 7.9619 8.2898 8.2898 8.3106 8.3106 8.3319 8.3319 8.3510 8.3510 9.6209 9.6209 9.6216 9.6216 9.7307 9.7307 9.7370 9.7370 9.8123 9.8123 9.8128 9.8128 9.8860 9.8860 9.8922 9.8922 k = 0.1957 0.1130 0.7140 ( 12484 PWs) bands (ev): -0.0924 -0.0924 -0.0924 -0.0924 0.6441 0.6441 0.6461 0.6461 0.6723 0.6723 0.6743 0.6743 4.9060 4.9060 4.9116 4.9116 4.9912 4.9912 4.9957 4.9957 6.0554 6.0554 6.0629 6.0629 6.1893 6.1893 6.1966 6.1966 6.5632 6.5632 6.5787 6.5787 6.8101 6.8101 6.8313 6.8313 7.1241 7.1241 7.1311 7.1311 7.3945 7.3945 7.4056 7.4056 7.4884 7.4884 7.4999 7.4999 7.9710 7.9710 7.9726 7.9726 8.3024 8.3024 8.3261 8.3261 8.3521 8.3521 8.3734 8.3734 9.5954 9.5954 9.5962 9.5962 9.7354 9.7354 9.7393 9.7393 9.8290 9.8290 9.8327 9.8327 9.8807 9.8807 9.8908 9.8908 k = 0.2174 0.1255 0.7140 ( 12482 PWs) bands (ev): -0.0738 -0.0738 -0.0738 -0.0738 0.6277 0.6277 0.6295 0.6295 0.6656 0.6656 0.6675 0.6675 4.8827 4.8827 4.8886 4.8886 4.9804 4.9804 4.9850 4.9850 6.0768 6.0768 6.0860 6.0860 6.1727 6.1727 6.1803 6.1803 6.5602 6.5602 6.5741 6.5741 6.8252 6.8252 6.8459 6.8459 7.1549 7.1549 7.1616 7.1616 7.4023 7.4023 7.4139 7.4139 7.5101 7.5101 7.5224 7.5224 7.9827 7.9827 7.9846 7.9846 8.3157 8.3157 8.3406 8.3406 8.3757 8.3757 8.3979 8.3979 9.5651 9.5651 9.5673 9.5673 9.7413 9.7413 9.7429 9.7429 9.8420 9.8420 9.8512 9.8512 9.8797 9.8797 9.8950 9.8950 k = 0.2391 0.1381 0.7140 ( 12490 PWs) bands (ev): -0.0536 -0.0536 -0.0535 -0.0535 0.6094 0.6094 0.6111 0.6111 0.6589 0.6589 0.6607 0.6607 4.8604 4.8604 4.8664 4.8664 4.9714 4.9714 4.9760 4.9760 6.0494 6.0494 6.0544 6.0544 6.2102 6.2102 6.2120 6.2120 6.5574 6.5574 6.5694 6.5694 6.8408 6.8408 6.8606 6.8606 7.1862 7.1862 7.1923 7.1923 7.4103 7.4103 7.4222 7.4222 7.5312 7.5312 7.5440 7.5440 7.9957 7.9957 7.9982 7.9982 8.3293 8.3293 8.3547 8.3547 8.4019 8.4019 8.4241 8.4241 9.5309 9.5309 9.5342 9.5342 9.7482 9.7482 9.7485 9.7485 9.8495 9.8495 9.8591 9.8591 9.8916 9.8916 9.9074 9.9074 k = 0.2609 0.1506 0.7140 ( 12474 PWs) bands (ev): -0.0317 -0.0317 -0.0317 -0.0317 0.5894 0.5894 0.5909 0.5909 0.6523 0.6523 0.6540 0.6540 4.8392 4.8392 4.8452 4.8452 4.9646 4.9646 4.9689 4.9689 6.0034 6.0034 6.0065 6.0065 6.2618 6.2618 6.2636 6.2636 6.5547 6.5547 6.5645 6.5645 6.8558 6.8558 6.8744 6.8744 7.2178 7.2178 7.2232 7.2232 7.4183 7.4183 7.4303 7.4303 7.5512 7.5512 7.5642 7.5642 8.0103 8.0103 8.0133 8.0133 8.3432 8.3432 8.3685 8.3685 8.4300 8.4300 8.4516 8.4516 9.4930 9.4930 9.4971 9.4971 9.7552 9.7552 9.7572 9.7572 9.8532 9.8532 9.8596 9.8596 9.9134 9.9134 9.9258 9.9258 k = 0.2826 0.1632 0.7140 ( 12474 PWs) bands (ev): -0.0084 -0.0084 -0.0084 -0.0084 0.5676 0.5676 0.5690 0.5690 0.6460 0.6460 0.6475 0.6475 4.8194 4.8194 4.8252 4.8252 4.9600 4.9600 4.9639 4.9639 5.9540 5.9540 5.9565 5.9565 6.3146 6.3146 6.3191 6.3191 6.5522 6.5522 6.5596 6.5596 6.8693 6.8693 6.8867 6.8867 7.2496 7.2496 7.2541 7.2541 7.4264 7.4264 7.4384 7.4384 7.5697 7.5697 7.5827 7.5827 8.0265 8.0265 8.0300 8.0300 8.3570 8.3570 8.3818 8.3818 8.4594 8.4594 8.4802 8.4802 9.4515 9.4515 9.4562 9.4562 9.7639 9.7639 9.7671 9.7671 9.8563 9.8563 9.8598 9.8598 9.9373 9.9373 9.9471 9.9471 k = 0.3043 0.1757 0.7140 ( 12480 PWs) bands (ev): 0.0164 0.0164 0.0164 0.0164 0.5443 0.5443 0.5455 0.5455 0.6399 0.6399 0.6413 0.6413 4.8010 4.8010 4.8064 4.8064 4.9577 4.9577 4.9612 4.9612 5.9048 5.9048 5.9071 5.9071 6.3664 6.3664 6.3733 6.3733 6.5506 6.5506 6.5552 6.5552 6.8808 6.8808 6.8968 6.8968 7.2808 7.2808 7.2843 7.2843 7.4347 7.4347 7.4465 7.4465 7.5863 7.5863 7.5991 7.5991 8.0443 8.0443 8.0484 8.0484 8.3705 8.3705 8.3945 8.3945 8.4899 8.4899 8.5096 8.5096 9.4071 9.4071 9.4119 9.4119 9.7742 9.7742 9.7783 9.7783 9.8607 9.8607 9.8618 9.8618 9.9612 9.9612 9.9689 9.9689 k = 0.3261 0.1883 0.7140 ( 12482 PWs) bands (ev): 0.0423 0.0423 0.0423 0.0423 0.5195 0.5195 0.5206 0.5206 0.6342 0.6342 0.6354 0.6354 4.7842 4.7842 4.7892 4.7892 4.9576 4.9576 4.9606 4.9606 5.8575 5.8575 5.8596 5.8596 6.4146 6.4146 6.4246 6.4246 6.5509 6.5509 6.5521 6.5521 6.8896 6.8896 6.9043 6.9043 7.3105 7.3105 7.3131 7.3131 7.4437 7.4437 7.4550 7.4550 7.6008 7.6008 7.6131 7.6131 8.0637 8.0637 8.0683 8.0683 8.3835 8.3835 8.4064 8.4064 8.5210 8.5210 8.5394 8.5394 9.3601 9.3601 9.3649 9.3649 9.7863 9.7863 9.7906 9.7906 9.8659 9.8659 9.8675 9.8675 9.9839 9.9839 9.9899 9.9899 k = 0.3478 0.2008 0.7140 ( 12468 PWs) bands (ev): 0.0694 0.0694 0.0694 0.0694 0.4934 0.4934 0.4943 0.4943 0.6290 0.6290 0.6301 0.6301 4.7691 4.7691 4.7735 4.7735 4.9593 4.9593 4.9618 4.9618 5.8130 5.8130 5.8150 5.8150 6.4561 6.4561 6.4699 6.4699 6.5526 6.5526 6.5557 6.5557 6.8957 6.8957 6.9092 6.9092 7.3377 7.3377 7.3394 7.3394 7.4537 7.4537 7.4643 7.4643 7.6127 7.6127 7.6243 7.6243 8.0843 8.0843 8.0893 8.0893 8.3958 8.3958 8.4172 8.4172 8.5526 8.5526 8.5695 8.5695 9.3114 9.3114 9.3159 9.3159 9.7999 9.7999 9.8037 9.8037 9.8722 9.8722 9.8769 9.8769 10.0047 10.0047 10.0088 10.0088 k = 0.3696 0.2134 0.7140 ( 12484 PWs) bands (ev): 0.0975 0.0975 0.0975 0.0975 0.4661 0.4661 0.4669 0.4669 0.6244 0.6244 0.6253 0.6253 4.7557 4.7557 4.7596 4.7596 4.9627 4.9627 4.9647 4.9647 5.7721 5.7721 5.7739 5.7739 6.4853 6.4853 6.5016 6.5016 6.5637 6.5637 6.5698 6.5698 6.8991 6.8991 6.9112 6.9112 7.3610 7.3610 7.3619 7.3619 7.4653 7.4653 7.4751 7.4751 7.6220 7.6220 7.6327 7.6327 8.1056 8.1056 8.1109 8.1109 8.4071 8.4071 8.4268 8.4268 8.5844 8.5844 8.5996 8.5996 9.2619 9.2619 9.2659 9.2659 9.8152 9.8152 9.8176 9.8176 9.8803 9.8803 9.8890 9.8890 10.0222 10.0222 10.0241 10.0241 k = 0.3913 0.2259 0.7140 ( 12494 PWs) bands (ev): 0.1264 0.1264 0.1265 0.1265 0.4378 0.4378 0.4385 0.4385 0.6204 0.6204 0.6212 0.6212 4.7443 4.7443 4.7476 4.7476 4.9670 4.9670 4.9686 4.9686 5.7355 5.7355 5.7372 5.7372 6.4999 6.4999 6.5133 6.5133 6.5910 6.5910 6.5950 6.5950 6.8998 6.8998 6.9107 6.9107 7.3796 7.3796 7.3798 7.3798 7.4789 7.4789 7.4876 7.4876 7.6286 7.6286 7.6382 7.6382 8.1268 8.1268 8.1321 8.1321 8.4173 8.4173 8.4349 8.4349 8.6161 8.6161 8.6294 8.6294 9.2127 9.2127 9.2161 9.2161 9.8323 9.8323 9.8324 9.8324 9.8896 9.8896 9.9032 9.9032 10.0339 10.0339 10.0350 10.0350 k = 0.4130 0.2385 0.7140 ( 12506 PWs) bands (ev): 0.1559 0.1559 0.1560 0.1560 0.4088 0.4088 0.4094 0.4094 0.6171 0.6171 0.6177 0.6177 4.7349 4.7349 4.7375 4.7375 4.9719 4.9719 4.9730 4.9730 5.7042 5.7042 5.7056 5.7056 6.5056 6.5056 6.5151 6.5151 6.6239 6.6239 6.6249 6.6249 6.8982 6.8982 6.9077 6.9077 7.3928 7.3928 7.3932 7.3932 7.4939 7.4939 7.5013 7.5013 7.6326 7.6326 7.6410 7.6410 8.1469 8.1469 8.1519 8.1519 8.4263 8.4263 8.4412 8.4412 8.6472 8.6472 8.6584 8.6584 9.1655 9.1655 9.1681 9.1681 9.8480 9.8480 9.8514 9.8514 9.8990 9.8990 9.9189 9.9189 10.0358 10.0358 10.0411 10.0411 k = 0.4348 0.2510 0.7140 ( 12496 PWs) bands (ev): 0.1857 0.1857 0.1858 0.1858 0.3793 0.3793 0.3798 0.3798 0.6144 0.6144 0.6149 0.6149 4.7275 4.7275 4.7295 4.7295 4.9766 4.9766 4.9774 4.9774 5.6788 5.6788 5.6799 5.6799 6.5076 6.5076 6.5141 6.5141 6.6533 6.6533 6.6540 6.6540 6.8952 6.8952 6.9030 6.9030 7.4017 7.4017 7.4024 7.4024 7.5089 7.5089 7.5148 7.5148 7.6345 7.6345 7.6414 7.6414 8.1647 8.1647 8.1689 8.1689 8.4339 8.4339 8.4457 8.4457 8.6767 8.6767 8.6856 8.6856 9.1223 9.1223 9.1242 9.1242 9.8641 9.8641 9.8722 9.8722 9.9076 9.9076 9.9353 9.9353 10.0279 10.0279 10.0387 10.0387 k = 0.4565 0.2636 0.7140 ( 12508 PWs) bands (ev): 0.2153 0.2153 0.2154 0.2154 0.3500 0.3500 0.3504 0.3504 0.6125 0.6125 0.6128 0.6128 4.7224 4.7224 4.7237 4.7237 4.9806 4.9806 4.9811 4.9811 5.6600 5.6600 5.6609 5.6609 6.5085 6.5085 6.5126 6.5126 6.6765 6.6765 6.6778 6.6778 6.8917 6.8917 6.8974 6.8974 7.4074 7.4074 7.4081 7.4081 7.5220 7.5220 7.5263 7.5263 7.6351 7.6351 7.6401 7.6401 8.1788 8.1788 8.1819 8.1819 8.4401 8.4401 8.4483 8.4483 8.7026 8.7026 8.7088 8.7088 9.0863 9.0863 9.0874 9.0874 9.8797 9.8797 9.8927 9.8927 9.9162 9.9162 9.9520 9.9520 10.0104 10.0104 10.0276 10.0276 k = 0.4783 0.2761 0.7140 ( 12512 PWs) bands (ev): 0.2428 0.2428 0.2430 0.2430 0.3226 0.3226 0.3229 0.3229 0.6114 0.6114 0.6116 0.6116 4.7194 4.7194 4.7200 4.7200 4.9833 4.9833 4.9835 4.9835 5.6486 5.6486 5.6490 5.6490 6.5092 6.5092 6.5112 6.5112 6.6921 6.6921 6.6930 6.6930 6.8893 6.8893 6.8924 6.8924 7.4107 7.4107 7.4110 7.4110 7.5315 7.5315 7.5338 7.5338 7.6353 7.6353 7.6380 7.6380 8.1881 8.1881 8.1898 8.1898 8.4447 8.4447 8.4489 8.4489 8.7215 8.7215 8.7247 8.7247 9.0616 9.0616 9.0621 9.0621 9.8929 9.8929 9.9034 9.9034 9.9324 9.9324 9.9679 9.9679 9.9883 9.9883 10.0107 10.0107 k = 0.5000 0.2887 0.7140 ( 12508 PWs) bands (ev): 0.2583 0.2583 0.2583 0.2583 0.3074 0.3074 0.3074 0.3074 0.6111 0.6111 0.6111 0.6111 4.7186 4.7186 4.7186 4.7186 4.9843 4.9843 4.9843 4.9843 5.6449 5.6449 5.6449 5.6449 6.5100 6.5100 6.5100 6.5100 6.6979 6.6979 6.6979 6.6979 6.8894 6.8894 6.8894 6.8894 7.4118 7.4118 7.4118 7.4118 7.5357 7.5357 7.5357 7.5357 7.6362 7.6362 7.6362 7.6362 8.1920 8.1920 8.1920 8.1920 8.4477 8.4477 8.4477 8.4477 8.7296 8.7296 8.7296 8.7296 9.0528 9.0528 9.0528 9.0528 9.9017 9.9017 9.9017 9.9017 9.9567 9.9567 9.9567 9.9567 9.9919 9.9919 9.9920 9.9920 k = 0.5000 0.2887 0.7140 ( 12508 PWs) bands (ev): 0.2583 0.2583 0.2583 0.2583 0.3074 0.3074 0.3074 0.3074 0.6111 0.6111 0.6111 0.6111 4.7186 4.7186 4.7186 4.7186 4.9843 4.9843 4.9843 4.9843 5.6449 5.6449 5.6449 5.6449 6.5100 6.5100 6.5100 6.5100 6.6979 6.6979 6.6979 6.6979 6.8894 6.8894 6.8894 6.8894 7.4118 7.4118 7.4118 7.4118 7.5357 7.5357 7.5357 7.5357 7.6362 7.6362 7.6362 7.6362 8.1920 8.1920 8.1920 8.1920 8.4477 8.4477 8.4477 8.4477 8.7296 8.7296 8.7296 8.7296 9.0528 9.0528 9.0528 9.0528 9.9017 9.9017 9.9017 9.9017 9.9567 9.9567 9.9567 9.9567 9.9919 9.9919 9.9920 9.9920 k = 0.4881 0.3093 0.7140 ( 12522 PWs) bands (ev): 0.2589 0.2589 0.2589 0.2589 0.3080 0.3080 0.3080 0.3080 0.6098 0.6098 0.6098 0.6098 4.7200 4.7200 4.7200 4.7200 4.9839 4.9839 4.9839 4.9839 5.6396 5.6396 5.6396 5.6396 6.5153 6.5153 6.5153 6.5153 6.6992 6.6992 6.6992 6.6992 6.8894 6.8894 6.8894 6.8894 7.4120 7.4120 7.4120 7.4120 7.5347 7.5347 7.5347 7.5347 7.6365 7.6365 7.6365 7.6365 8.1924 8.1924 8.1924 8.1924 8.4485 8.4485 8.4485 8.4485 8.7283 8.7283 8.7283 8.7283 9.0527 9.0527 9.0527 9.0527 9.9000 9.9000 9.9000 9.9000 9.9520 9.9520 9.9520 9.9520 9.9895 9.9895 9.9895 9.9895 k = 0.4762 0.3299 0.7140 ( 12510 PWs) bands (ev): 0.2608 0.2608 0.2608 0.2608 0.3095 0.3095 0.3095 0.3095 0.6059 0.6059 0.6059 0.6059 4.7240 4.7240 4.7240 4.7240 4.9830 4.9830 4.9830 4.9830 5.6240 5.6240 5.6240 5.6240 6.5304 6.5304 6.5304 6.5304 6.7028 6.7028 6.7028 6.7028 6.8893 6.8893 6.8893 6.8893 7.4125 7.4125 7.4125 7.4125 7.5318 7.5318 7.5318 7.5318 7.6376 7.6376 7.6376 7.6376 8.1937 8.1937 8.1937 8.1937 8.4509 8.4509 8.4509 8.4509 8.7243 8.7243 8.7243 8.7243 9.0525 9.0525 9.0525 9.0525 9.8937 9.8937 9.8937 9.8937 9.9381 9.9381 9.9381 9.9381 9.9863 9.9863 9.9863 9.9863 k = 0.4643 0.3505 0.7140 ( 12518 PWs) bands (ev): 0.2639 0.2639 0.2639 0.2639 0.3121 0.3121 0.3121 0.3121 0.5995 0.5995 0.5995 0.5995 4.7307 4.7307 4.7307 4.7307 4.9816 4.9816 4.9816 4.9816 5.5994 5.5994 5.5994 5.5994 6.5540 6.5540 6.5540 6.5540 6.7087 6.7087 6.7087 6.7087 6.8892 6.8892 6.8892 6.8892 7.4133 7.4133 7.4133 7.4133 7.5270 7.5270 7.5270 7.5270 7.6392 7.6392 7.6392 7.6392 8.1959 8.1959 8.1959 8.1959 8.4549 8.4549 8.4549 8.4549 8.7179 8.7179 8.7179 8.7179 9.0520 9.0520 9.0520 9.0520 9.8796 9.8796 9.8796 9.8796 9.9209 9.9209 9.9209 9.9209 9.9857 9.9857 9.9857 9.9857 k = 0.4524 0.3712 0.7140 ( 12508 PWs) bands (ev): 0.2683 0.2683 0.2683 0.2683 0.3157 0.3157 0.3157 0.3157 0.5905 0.5905 0.5905 0.5905 4.7396 4.7396 4.7396 4.7396 4.9802 4.9802 4.9802 4.9802 5.5676 5.5676 5.5676 5.5676 6.5841 6.5841 6.5841 6.5841 6.7166 6.7166 6.7166 6.7166 6.8892 6.8892 6.8892 6.8892 7.4145 7.4145 7.4145 7.4145 7.5206 7.5206 7.5206 7.5206 7.6415 7.6415 7.6415 7.6415 8.1988 8.1988 8.1988 8.1988 8.4605 8.4605 8.4605 8.4605 8.7093 8.7093 8.7093 8.7093 9.0512 9.0512 9.0512 9.0512 9.8559 9.8559 9.8559 9.8559 9.9072 9.9072 9.9072 9.9072 9.9872 9.9872 9.9872 9.9872 k = 0.4405 0.3918 0.7140 ( 12512 PWs) bands (ev): 0.2738 0.2738 0.2738 0.2738 0.3203 0.3203 0.3203 0.3203 0.5792 0.5792 0.5792 0.5792 4.7503 4.7503 4.7503 4.7503 4.9793 4.9793 4.9793 4.9793 5.5302 5.5302 5.5302 5.5302 6.6184 6.6184 6.6184 6.6184 6.7262 6.7262 6.7262 6.7262 6.8893 6.8893 6.8893 6.8893 7.4160 7.4160 7.4160 7.4160 7.5127 7.5127 7.5127 7.5127 7.6443 7.6443 7.6443 7.6443 8.2024 8.2024 8.2024 8.2024 8.4674 8.4674 8.4674 8.4674 8.6987 8.6987 8.6987 8.6987 9.0501 9.0501 9.0501 9.0501 9.8278 9.8278 9.8278 9.8278 9.8956 9.8956 9.8956 9.8956 9.9901 9.9901 9.9901 9.9901 k = 0.4286 0.4124 0.7140 ( 12502 PWs) bands (ev): 0.2806 0.2806 0.2806 0.2806 0.3258 0.3258 0.3258 0.3258 0.5656 0.5656 0.5656 0.5656 4.7623 4.7623 4.7623 4.7623 4.9797 4.9797 4.9797 4.9797 5.4890 5.4890 5.4890 5.4890 6.6547 6.6547 6.6547 6.6547 6.7373 6.7373 6.7373 6.7373 6.8898 6.8898 6.8898 6.8898 7.4179 7.4179 7.4179 7.4179 7.5035 7.5035 7.5035 7.5035 7.6474 7.6474 7.6474 7.6474 8.2067 8.2067 8.2067 8.2067 8.4757 8.4757 8.4757 8.4757 8.6866 8.6866 8.6866 8.6866 9.0485 9.0485 9.0485 9.0485 9.8000 9.8000 9.8000 9.8000 9.8837 9.8837 9.8837 9.8837 9.9939 9.9939 9.9939 9.9939 k = 0.4167 0.4330 0.7140 ( 12486 PWs) bands (ev): 0.2884 0.2884 0.2884 0.2884 0.3322 0.3322 0.3322 0.3322 0.5499 0.5499 0.5499 0.5499 4.7746 4.7746 4.7746 4.7746 4.9825 4.9825 4.9825 4.9825 5.4452 5.4452 5.4452 5.4452 6.6904 6.6904 6.6904 6.6904 6.7496 6.7496 6.7496 6.7496 6.8909 6.8909 6.8909 6.8909 7.4202 7.4202 7.4202 7.4202 7.4934 7.4934 7.4934 7.4934 7.6508 7.6508 7.6508 7.6508 8.2115 8.2115 8.2115 8.2115 8.4852 8.4852 8.4852 8.4852 8.6732 8.6732 8.6732 8.6732 9.0463 9.0463 9.0463 9.0463 9.7751 9.7751 9.7751 9.7751 9.8703 9.8703 9.8703 9.8703 9.9982 9.9982 9.9982 9.9982 k = 0.4048 0.4536 0.7140 ( 12490 PWs) bands (ev): 0.2974 0.2974 0.2974 0.2974 0.3395 0.3395 0.3395 0.3395 0.5322 0.5322 0.5322 0.5322 4.7862 4.7862 4.7862 4.7862 4.9887 4.9887 4.9887 4.9887 5.3999 5.3999 5.3999 5.3999 6.7227 6.7227 6.7227 6.7227 6.7633 6.7633 6.7633 6.7633 6.8931 6.8931 6.8931 6.8931 7.4228 7.4228 7.4228 7.4228 7.4829 7.4829 7.4829 7.4829 7.6543 7.6543 7.6543 7.6543 8.2165 8.2165 8.2165 8.2165 8.4958 8.4958 8.4958 8.4958 8.6590 8.6590 8.6590 8.6590 9.0434 9.0434 9.0434 9.0434 9.7544 9.7544 9.7544 9.7544 9.8555 9.8555 9.8555 9.8555 10.0029 10.0029 10.0029 10.0029 k = 0.3929 0.4743 0.7140 ( 12496 PWs) bands (ev): 0.3075 0.3075 0.3075 0.3075 0.3475 0.3475 0.3475 0.3475 0.5127 0.5127 0.5127 0.5127 4.7961 4.7961 4.7961 4.7961 4.9996 4.9996 4.9996 4.9996 5.3542 5.3542 5.3542 5.3542 6.7483 6.7483 6.7483 6.7483 6.7789 6.7789 6.7789 6.7789 6.8971 6.8971 6.8971 6.8971 7.4257 7.4257 7.4257 7.4257 7.4723 7.4723 7.4723 7.4723 7.6576 7.6576 7.6576 7.6576 8.2218 8.2218 8.2218 8.2218 8.5076 8.5076 8.5076 8.5076 8.6444 8.6444 8.6444 8.6444 9.0397 9.0397 9.0397 9.0397 9.7388 9.7388 9.7388 9.7388 9.8394 9.8394 9.8394 9.8394 10.0075 10.0075 10.0075 10.0075 k = 0.3810 0.4949 0.7140 ( 12484 PWs) bands (ev): 0.3185 0.3185 0.3185 0.3185 0.3562 0.3562 0.3562 0.3562 0.4918 0.4918 0.4918 0.4918 4.8036 4.8036 4.8036 4.8036 5.0159 5.0159 5.0159 5.0159 5.3087 5.3087 5.3087 5.3087 6.7659 6.7659 6.7659 6.7659 6.7954 6.7954 6.7954 6.7954 6.9035 6.9035 6.9035 6.9035 7.4287 7.4287 7.4287 7.4287 7.4624 7.4624 7.4624 7.4624 7.6607 7.6607 7.6607 7.6607 8.2269 8.2269 8.2269 8.2269 8.5203 8.5203 8.5203 8.5203 8.6297 8.6297 8.6297 8.6297 9.0353 9.0353 9.0353 9.0353 9.7287 9.7287 9.7287 9.7287 9.8225 9.8225 9.8225 9.8225 10.0119 10.0119 10.0119 10.0119 k = 0.3690 0.5155 0.7140 ( 12492 PWs) bands (ev): 0.3305 0.3305 0.3305 0.3305 0.3651 0.3651 0.3651 0.3651 0.4698 0.4698 0.4698 0.4698 4.8085 4.8085 4.8085 4.8085 5.0380 5.0380 5.0380 5.0380 5.2640 5.2640 5.2640 5.2640 6.7777 6.7777 6.7777 6.7777 6.8088 6.8088 6.8088 6.8088 6.9118 6.9118 6.9118 6.9118 7.4318 7.4318 7.4318 7.4318 7.4536 7.4536 7.4536 7.4536 7.6633 7.6633 7.6633 7.6633 8.2315 8.2315 8.2315 8.2315 8.5337 8.5337 8.5337 8.5337 8.6152 8.6152 8.6152 8.6152 9.0306 9.0306 9.0306 9.0306 9.7243 9.7243 9.7243 9.7243 9.8053 9.8053 9.8053 9.8053 10.0157 10.0157 10.0157 10.0157 k = 0.3571 0.5361 0.7140 ( 12508 PWs) bands (ev): 0.3433 0.3433 0.3433 0.3433 0.3734 0.3734 0.3734 0.3734 0.4477 0.4477 0.4477 0.4477 4.8112 4.8112 4.8112 4.8112 5.0655 5.0655 5.0655 5.0655 5.2207 5.2207 5.2207 5.2207 6.7858 6.7858 6.7858 6.7858 6.8173 6.8173 6.8173 6.8173 6.9205 6.9205 6.9205 6.9205 7.4346 7.4346 7.4346 7.4346 7.4466 7.4466 7.4466 7.4466 7.6653 7.6653 7.6653 7.6653 8.2355 8.2355 8.2355 8.2355 8.5474 8.5474 8.5474 8.5474 8.6013 8.6013 8.6013 8.6013 9.0259 9.0259 9.0259 9.0259 9.7251 9.7251 9.7251 9.7251 9.7888 9.7888 9.7888 9.7888 10.0188 10.0188 10.0188 10.0188 k = 0.3452 0.5567 0.7140 ( 12520 PWs) bands (ev): 0.3569 0.3569 0.3569 0.3569 0.3783 0.3783 0.3783 0.3783 0.4287 0.4287 0.4287 0.4287 4.8122 4.8122 4.8122 4.8122 5.0970 5.0970 5.0970 5.0970 5.1800 5.1800 5.1800 5.1800 6.7907 6.7907 6.7907 6.7907 6.8214 6.8214 6.8214 6.8214 6.9270 6.9270 6.9270 6.9270 7.4369 7.4369 7.4369 7.4369 7.4421 7.4421 7.4421 7.4421 7.6666 7.6666 7.6666 7.6666 8.2381 8.2381 8.2381 8.2381 8.5604 8.5604 8.5604 8.5604 8.5887 8.5887 8.5887 8.5887 9.0223 9.0223 9.0223 9.0223 9.7299 9.7299 9.7299 9.7299 9.7746 9.7746 9.7746 9.7746 10.0208 10.0208 10.0208 10.0208 k = 0.3333 0.5774 0.7140 ( 12528 PWs) bands (ev): 0.3695 0.3695 0.3695 0.3695 0.3733 0.3733 0.3733 0.3733 0.4208 0.4208 0.4208 0.4208 4.8125 4.8125 4.8125 4.8125 5.1220 5.1220 5.1220 5.1220 5.1520 5.1520 5.1520 5.1520 6.7924 6.7924 6.7924 6.7924 6.8226 6.8226 6.8226 6.8226 6.9294 6.9294 6.9294 6.9294 7.4376 7.4376 7.4376 7.4376 7.4406 7.4406 7.4406 7.4406 7.6670 7.6670 7.6670 7.6670 8.2392 8.2392 8.2392 8.2392 8.5681 8.5681 8.5681 8.5681 8.5812 8.5812 8.5812 8.5812 9.0207 9.0207 9.0207 9.0207 9.7337 9.7337 9.7337 9.7337 9.7677 9.7677 9.7677 9.7677 10.0215 10.0215 10.0215 10.0215 k = 0.3333 0.5774 0.7140 ( 12528 PWs) bands (ev): 0.3695 0.3695 0.3695 0.3695 0.3733 0.3733 0.3733 0.3733 0.4208 0.4208 0.4208 0.4208 4.8125 4.8125 4.8125 4.8125 5.1220 5.1220 5.1220 5.1220 5.1520 5.1520 5.1520 5.1520 6.7924 6.7924 6.7924 6.7924 6.8226 6.8226 6.8226 6.8226 6.9294 6.9294 6.9294 6.9294 7.4376 7.4376 7.4376 7.4376 7.4406 7.4406 7.4406 7.4406 7.6670 7.6670 7.6670 7.6670 8.2392 8.2392 8.2392 8.2392 8.5681 8.5681 8.5681 8.5681 8.5812 8.5812 8.5812 8.5812 9.0207 9.0207 9.0207 9.0207 9.7337 9.7337 9.7337 9.7337 9.7677 9.7677 9.7677 9.7677 10.0215 10.0215 10.0215 10.0215 k = 0.3210 0.5560 0.7140 ( 12512 PWs) bands (ev): 0.3504 0.3504 0.3504 0.3504 0.3871 0.3871 0.3871 0.3871 0.4264 0.4264 0.4264 0.4264 4.8124 4.8124 4.8124 4.8124 5.0950 5.0950 5.0950 5.0950 5.1821 5.1821 5.1821 5.1821 6.7904 6.7904 6.7904 6.7904 6.8216 6.8216 6.8216 6.8216 6.9267 6.9267 6.9267 6.9267 7.4377 7.4377 7.4377 7.4377 7.4410 7.4410 7.4410 7.4410 7.6665 7.6665 7.6665 7.6665 8.2379 8.2379 8.2379 8.2379 8.5613 8.5613 8.5613 8.5613 8.5873 8.5873 8.5873 8.5873 9.0229 9.0229 9.0229 9.0229 9.7286 9.7286 9.7286 9.7286 9.7761 9.7761 9.7761 9.7761 10.0207 10.0207 10.0207 10.0207 k = 0.3086 0.5346 0.7140 ( 12514 PWs) bands (ev): 0.3239 0.3239 0.3239 0.3239 0.4033 0.4033 0.4033 0.4033 0.4374 0.4374 0.4374 0.4374 4.8127 4.8127 4.8127 4.8127 5.0596 5.0596 5.0596 5.0596 5.2267 5.2267 5.2267 5.2267 6.7841 6.7841 6.7841 6.7841 6.8189 6.8189 6.8189 6.8189 6.9191 6.9191 6.9191 6.9191 7.4378 7.4378 7.4378 7.4378 7.4419 7.4419 7.4419 7.4419 7.6651 7.6651 7.6651 7.6651 8.2338 8.2338 8.2338 8.2338 8.5518 8.5518 8.5518 8.5518 8.5940 8.5940 8.5940 8.5940 9.0304 9.0304 9.0304 9.0304 9.7188 9.7188 9.7188 9.7188 9.7953 9.7953 9.7953 9.7953 10.0181 10.0181 10.0181 10.0181 k = 0.2963 0.5132 0.7140 ( 12494 PWs) bands (ev): 0.2953 0.2953 0.2953 0.2953 0.4200 0.4200 0.4200 0.4200 0.4505 0.4505 0.4505 0.4505 4.8137 4.8137 4.8137 4.8137 5.0262 5.0262 5.0262 5.0262 5.2751 5.2751 5.2751 5.2751 6.7726 6.7726 6.7726 6.7726 6.8148 6.8148 6.8148 6.8148 6.9077 6.9077 6.9077 6.9077 7.4356 7.4356 7.4356 7.4356 7.4444 7.4444 7.4444 7.4444 7.6626 7.6626 7.6626 7.6626 8.2265 8.2265 8.2265 8.2265 8.5431 8.5431 8.5431 8.5431 8.5964 8.5964 8.5964 8.5964 9.0444 9.0444 9.0444 9.0444 9.7095 9.7095 9.7095 9.7095 9.8196 9.8196 9.8196 9.8196 10.0138 10.0138 10.0138 10.0138 k = 0.2840 0.4918 0.7140 ( 12486 PWs) bands (ev): 0.2658 0.2658 0.2658 0.2658 0.4371 0.4371 0.4371 0.4371 0.4646 0.4646 0.4646 0.4646 4.8157 4.8157 4.8157 4.8157 4.9955 4.9955 4.9955 4.9955 5.3263 5.3263 5.3263 5.3263 6.7552 6.7552 6.7552 6.7552 6.8092 6.8092 6.8092 6.8092 6.8945 6.8945 6.8945 6.8945 7.4308 7.4308 7.4308 7.4308 7.4477 7.4477 7.4477 7.4477 7.6593 7.6593 7.6593 7.6593 8.2159 8.2159 8.2159 8.2159 8.5355 8.5355 8.5355 8.5355 8.5938 8.5938 8.5938 8.5938 9.0655 9.0655 9.0655 9.0655 9.7022 9.7022 9.7022 9.7022 9.8464 9.8464 9.8464 9.8464 10.0078 10.0078 10.0078 10.0078 k = 0.2716 0.4704 0.7140 ( 12482 PWs) bands (ev): 0.2359 0.2359 0.2359 0.2359 0.4546 0.4546 0.4546 0.4546 0.4793 0.4793 0.4793 0.4793 4.8189 4.8189 4.8189 4.8189 4.9680 4.9680 4.9680 4.9680 5.3799 5.3799 5.3799 5.3799 6.7310 6.7310 6.7310 6.7310 6.8024 6.8024 6.8024 6.8024 6.8810 6.8810 6.8810 6.8810 7.4234 7.4234 7.4234 7.4234 7.4509 7.4509 7.4509 7.4509 7.6550 7.6550 7.6550 7.6550 8.2021 8.2021 8.2021 8.2021 8.5284 8.5284 8.5284 8.5284 8.5861 8.5861 8.5861 8.5861 9.0935 9.0935 9.0935 9.0935 9.6973 9.6973 9.6973 9.6973 9.8739 9.8739 9.8739 9.8739 10.0003 10.0003 10.0003 10.0003 k = 0.2593 0.4491 0.7140 ( 12478 PWs) bands (ev): 0.2059 0.2059 0.2059 0.2059 0.4722 0.4722 0.4722 0.4722 0.4943 0.4943 0.4943 0.4943 4.8235 4.8235 4.8235 4.8235 4.9438 4.9438 4.9438 4.9438 5.4355 5.4355 5.4355 5.4355 6.7001 6.7001 6.7001 6.7001 6.7943 6.7943 6.7943 6.7943 6.8685 6.8685 6.8685 6.8685 7.4133 7.4133 7.4133 7.4133 7.4534 7.4534 7.4534 7.4534 7.6499 7.6499 7.6499 7.6499 8.1856 8.1856 8.1856 8.1856 8.5213 8.5213 8.5213 8.5213 8.5739 8.5739 8.5739 8.5739 9.1274 9.1274 9.1274 9.1274 9.6949 9.6949 9.6949 9.6949 9.9003 9.9003 9.9003 9.9003 9.9918 9.9918 9.9918 9.9918 k = 0.2469 0.4277 0.7140 ( 12466 PWs) bands (ev): 0.1761 0.1761 0.1761 0.1761 0.4899 0.4899 0.4899 0.4899 0.5096 0.5096 0.5096 0.5096 4.8295 4.8295 4.8295 4.8295 4.9230 4.9230 4.9230 4.9230 5.4929 5.4929 5.4929 5.4929 6.6629 6.6629 6.6629 6.6629 6.7850 6.7850 6.7850 6.7850 6.8572 6.8572 6.8572 6.8572 7.4005 7.4005 7.4005 7.4005 7.4548 7.4548 7.4548 7.4548 7.6438 7.6438 7.6438 7.6438 8.1668 8.1668 8.1668 8.1668 8.5136 8.5136 8.5136 8.5136 8.5584 8.5584 8.5584 8.5584 9.1659 9.1659 9.1659 9.1659 9.6950 9.6950 9.6950 9.6950 9.9224 9.9224 9.9224 9.9224 9.9836 9.9836 9.9836 9.9836 k = 0.2346 0.4063 0.7140 ( 12466 PWs) bands (ev): 0.1466 0.1466 0.1466 0.1466 0.5075 0.5075 0.5075 0.5075 0.5250 0.5250 0.5250 0.5250 4.8371 4.8371 4.8371 4.8371 4.9058 4.9058 4.9058 4.9058 5.5519 5.5519 5.5519 5.5519 6.6204 6.6204 6.6204 6.6204 6.7744 6.7744 6.7744 6.7744 6.8470 6.8470 6.8470 6.8470 7.3848 7.3848 7.3848 7.3848 7.4551 7.4551 7.4551 7.4551 7.6366 7.6366 7.6366 7.6366 8.1464 8.1464 8.1464 8.1464 8.5042 8.5042 8.5042 8.5042 8.5406 8.5406 8.5406 8.5406 9.2078 9.2078 9.2078 9.2078 9.6972 9.6972 9.6972 9.6972 9.9358 9.9358 9.9358 9.9358 9.9781 9.9781 9.9781 9.9781 k = 0.2222 0.3849 0.7140 ( 12486 PWs) bands (ev): 0.1177 0.1177 0.1177 0.1177 0.5250 0.5250 0.5250 0.5250 0.5405 0.5405 0.5405 0.5405 4.8461 4.8461 4.8461 4.8461 4.8921 4.8921 4.8921 4.8921 5.6121 5.6121 5.6121 5.6121 6.5736 6.5736 6.5736 6.5736 6.7626 6.7626 6.7626 6.7626 6.8379 6.8379 6.8379 6.8379 7.3665 7.3665 7.3665 7.3665 7.4540 7.4540 7.4540 7.4540 7.6284 7.6284 7.6284 7.6284 8.1252 8.1252 8.1252 8.1252 8.4925 8.4925 8.4925 8.4925 8.5218 8.5218 8.5218 8.5218 9.2517 9.2517 9.2517 9.2517 9.7015 9.7015 9.7015 9.7015 9.9363 9.9363 9.9363 9.9363 9.9777 9.9777 9.9777 9.9777 k = 0.2099 0.3635 0.7140 ( 12490 PWs) bands (ev): 0.0895 0.0895 0.0895 0.0895 0.5423 0.5423 0.5423 0.5423 0.5558 0.5558 0.5558 0.5558 4.8565 4.8565 4.8565 4.8565 4.8823 4.8823 4.8823 4.8823 5.6734 5.6734 5.6734 5.6734 6.5232 6.5232 6.5232 6.5232 6.7495 6.7495 6.7495 6.7495 6.8296 6.8296 6.8296 6.8296 7.3458 7.3458 7.3458 7.3458 7.4515 7.4515 7.4515 7.4515 7.6188 7.6188 7.6188 7.6188 8.1038 8.1038 8.1038 8.1038 8.4774 8.4774 8.4774 8.4774 8.5034 8.5034 8.5034 8.5034 9.2963 9.2963 9.2963 9.2963 9.7074 9.7074 9.7074 9.7074 9.9281 9.9281 9.9281 9.9281 9.9769 9.9769 9.9769 9.9769 k = 0.1975 0.3421 0.7140 ( 12494 PWs) bands (ev): 0.0621 0.0621 0.0621 0.0621 0.5592 0.5592 0.5592 0.5592 0.5709 0.5709 0.5709 0.5709 4.8672 4.8672 4.8672 4.8672 4.8772 4.8772 4.8772 4.8772 5.7356 5.7356 5.7356 5.7356 6.4700 6.4700 6.4700 6.4700 6.7353 6.7353 6.7353 6.7353 6.8220 6.8220 6.8220 6.8220 7.3228 7.3228 7.3228 7.3228 7.4479 7.4479 7.4479 7.4479 7.6079 7.6079 7.6079 7.6079 8.0828 8.0828 8.0828 8.0828 8.4590 8.4590 8.4590 8.4590 8.4857 8.4857 8.4857 8.4857 9.3408 9.3408 9.3408 9.3408 9.7146 9.7146 9.7146 9.7146 9.9168 9.9168 9.9168 9.9168 9.9705 9.9705 9.9705 9.9705 k = 0.1852 0.3208 0.7140 ( 12476 PWs) bands (ev): 0.0358 0.0358 0.0358 0.0358 0.5756 0.5756 0.5756 0.5756 0.5857 0.5857 0.5857 0.5857 4.8709 4.8709 4.8709 4.8709 4.8840 4.8840 4.8840 4.8840 5.7984 5.7984 5.7984 5.7984 6.4147 6.4147 6.4147 6.4147 6.7199 6.7199 6.7199 6.7199 6.8151 6.8151 6.8151 6.8151 7.2979 7.2979 7.2979 7.2979 7.4430 7.4430 7.4430 7.4430 7.5954 7.5954 7.5954 7.5954 8.0626 8.0626 8.0626 8.0626 8.4384 8.4384 8.4384 8.4384 8.4682 8.4682 8.4682 8.4682 9.3842 9.3842 9.3842 9.3842 9.7225 9.7225 9.7225 9.7225 9.9046 9.9046 9.9046 9.9046 9.9580 9.9580 9.9580 9.9580 k = 0.1728 0.2994 0.7140 ( 12492 PWs) bands (ev): 0.0105 0.0105 0.0105 0.0105 0.5914 0.5914 0.5914 0.5914 0.6001 0.6001 0.6001 0.6001 4.8724 4.8724 4.8724 4.8724 4.8979 4.8979 4.8979 4.8979 5.8614 5.8614 5.8614 5.8614 6.3577 6.3577 6.3577 6.3577 6.7037 6.7037 6.7037 6.7037 6.8088 6.8088 6.8088 6.8088 7.2714 7.2714 7.2714 7.2714 7.4372 7.4372 7.4372 7.4372 7.5813 7.5813 7.5813 7.5813 8.0436 8.0436 8.0436 8.0436 8.4170 8.4170 8.4170 8.4170 8.4502 8.4502 8.4502 8.4502 9.4259 9.4259 9.4259 9.4259 9.7305 9.7305 9.7305 9.7305 9.8923 9.8923 9.8923 9.8923 9.9412 9.9412 9.9412 9.9412 k = 0.1605 0.2780 0.7140 ( 12492 PWs) bands (ev): -0.0135 -0.0135 -0.0135 -0.0135 0.6065 0.6065 0.6065 0.6065 0.6140 0.6140 0.6140 0.6140 4.8768 4.8768 4.8768 4.8768 4.9133 4.9133 4.9133 4.9133 5.9245 5.9245 5.9245 5.9245 6.2996 6.2996 6.2996 6.2996 6.6867 6.6867 6.6867 6.6867 6.8031 6.8031 6.8031 6.8031 7.2438 7.2438 7.2438 7.2438 7.4306 7.4306 7.4306 7.4306 7.5656 7.5656 7.5656 7.5656 8.0260 8.0260 8.0260 8.0260 8.3954 8.3954 8.3954 8.3954 8.4314 8.4314 8.4314 8.4314 9.4654 9.4654 9.4654 9.4654 9.7380 9.7380 9.7380 9.7380 9.8801 9.8801 9.8801 9.8801 9.9227 9.9227 9.9227 9.9227 k = 0.1481 0.2566 0.7140 ( 12488 PWs) bands (ev): -0.0361 -0.0361 -0.0361 -0.0361 0.6209 0.6209 0.6209 0.6209 0.6274 0.6274 0.6274 0.6274 4.8845 4.8845 4.8845 4.8845 4.9296 4.9296 4.9296 4.9296 5.9872 5.9872 5.9872 5.9872 6.2408 6.2408 6.2408 6.2408 6.6695 6.6695 6.6695 6.6695 6.7979 6.7979 6.7979 6.7979 7.2152 7.2152 7.2152 7.2152 7.4233 7.4233 7.4233 7.4233 7.5484 7.5484 7.5484 7.5484 8.0098 8.0098 8.0098 8.0098 8.3744 8.3744 8.3744 8.3744 8.4121 8.4121 8.4121 8.4121 9.5023 9.5023 9.5023 9.5023 9.7443 9.7443 9.7443 9.7443 9.8671 9.8671 9.8671 9.8671 9.9059 9.9059 9.9059 9.9059 k = 0.1358 0.2352 0.7140 ( 12484 PWs) bands (ev): -0.0573 -0.0573 -0.0573 -0.0573 0.6344 0.6344 0.6344 0.6344 0.6400 0.6400 0.6400 0.6400 4.8954 4.8954 4.8954 4.8954 4.9466 4.9466 4.9466 4.9466 6.0489 6.0489 6.0489 6.0489 6.1819 6.1819 6.1819 6.1819 6.6524 6.6524 6.6524 6.6524 6.7933 6.7933 6.7933 6.7933 7.1860 7.1860 7.1860 7.1860 7.4155 7.4155 7.4155 7.4155 7.5297 7.5297 7.5297 7.5297 7.9953 7.9953 7.9953 7.9953 8.3541 8.3541 8.3541 8.3541 8.3925 8.3925 8.3925 8.3925 9.5363 9.5363 9.5363 9.5363 9.7486 9.7486 9.7486 9.7486 9.8519 9.8519 9.8519 9.8519 9.8941 9.8941 9.8941 9.8941 k = 0.1235 0.2138 0.7140 ( 12476 PWs) bands (ev): -0.0770 -0.0770 -0.0770 -0.0770 0.6470 0.6470 0.6470 0.6470 0.6519 0.6519 0.6519 0.6519 4.9092 4.9092 4.9092 4.9092 4.9638 4.9638 4.9638 4.9638 6.1064 6.1064 6.1064 6.1064 6.1262 6.1262 6.1262 6.1262 6.6362 6.6362 6.6362 6.6362 6.7892 6.7892 6.7892 6.7892 7.1563 7.1563 7.1563 7.1563 7.4074 7.4074 7.4074 7.4074 7.5098 7.5098 7.5098 7.5098 7.9822 7.9822 7.9822 7.9822 8.3349 8.3349 8.3349 8.3349 8.3731 8.3731 8.3731 8.3731 9.5673 9.5673 9.5673 9.5673 9.7504 9.7504 9.7504 9.7504 9.8344 9.8344 9.8344 9.8344 9.8885 9.8885 9.8885 9.8885 k = 0.1111 0.1925 0.7140 ( 12488 PWs) bands (ev): -0.0950 -0.0950 -0.0950 -0.0950 0.6586 0.6586 0.6586 0.6586 0.6630 0.6630 0.6630 0.6630 4.9257 4.9257 4.9257 4.9257 4.9812 4.9812 4.9812 4.9812 6.0644 6.0644 6.0644 6.0644 6.1686 6.1686 6.1686 6.1686 6.6217 6.6217 6.6217 6.6217 6.7856 6.7856 6.7856 6.7856 7.1263 7.1263 7.1263 7.1263 7.3993 7.3993 7.3993 7.3993 7.4891 7.4891 7.4891 7.4891 7.9705 7.9705 7.9705 7.9705 8.3169 8.3169 8.3169 8.3169 8.3544 8.3544 8.3544 8.3544 9.5950 9.5950 9.5950 9.5950 9.7499 9.7499 9.7499 9.7499 9.8163 9.8163 9.8163 9.8163 9.8879 9.8879 9.8879 9.8879 k = 0.0988 0.1711 0.7140 ( 12496 PWs) bands (ev): -0.1113 -0.1113 -0.1113 -0.1113 0.6692 0.6692 0.6692 0.6692 0.6731 0.6731 0.6731 0.6731 4.9444 4.9444 4.9444 4.9444 4.9982 4.9982 4.9982 4.9982 6.0083 6.0083 6.0083 6.0083 6.2229 6.2229 6.2229 6.2229 6.6104 6.6104 6.6104 6.6104 6.7824 6.7824 6.7824 6.7824 7.0959 7.0959 7.0959 7.0959 7.3913 7.3913 7.3913 7.3913 7.4678 7.4678 7.4678 7.4678 7.9602 7.9602 7.9602 7.9602 8.3003 8.3003 8.3003 8.3003 8.3368 8.3368 8.3368 8.3368 9.6195 9.6195 9.6195 9.6195 9.7474 9.7474 9.7474 9.7474 9.7992 9.7992 9.7992 9.7992 9.8908 9.8908 9.8908 9.8908 k = 0.0864 0.1497 0.7140 ( 12480 PWs) bands (ev): -0.1259 -0.1259 -0.1259 -0.1259 0.6786 0.6786 0.6786 0.6786 0.6822 0.6822 0.6822 0.6822 4.9648 4.9648 4.9648 4.9648 5.0145 5.0145 5.0145 5.0145 5.9543 5.9543 5.9543 5.9543 6.2721 6.2721 6.2721 6.2721 6.6042 6.6042 6.6042 6.6042 6.7798 6.7798 6.7798 6.7798 7.0650 7.0650 7.0650 7.0650 7.3836 7.3836 7.3836 7.3836 7.4466 7.4466 7.4466 7.4466 7.9512 7.9512 7.9512 7.9512 8.2852 8.2852 8.2852 8.2852 8.3206 8.3206 8.3206 8.3206 9.6408 9.6408 9.6408 9.6408 9.7434 9.7434 9.7434 9.7434 9.7839 9.7839 9.7839 9.7839 9.8957 9.8957 9.8957 9.8957 k = 0.0741 0.1283 0.7140 ( 12464 PWs) bands (ev): -0.1386 -0.1386 -0.1386 -0.1386 0.6868 0.6868 0.6868 0.6868 0.6902 0.6902 0.6902 0.6902 4.9862 4.9862 4.9862 4.9862 5.0299 5.0299 5.0299 5.0299 5.9032 5.9032 5.9032 5.9032 6.3134 6.3134 6.3134 6.3134 6.6057 6.6057 6.6057 6.6057 6.7776 6.7776 6.7776 6.7776 7.0333 7.0333 7.0333 7.0333 7.3764 7.3764 7.3764 7.3764 7.4261 7.4261 7.4261 7.4261 7.9434 7.9434 7.9434 7.9434 8.2717 8.2717 8.2717 8.2717 8.3063 8.3063 8.3063 8.3063 9.6587 9.6587 9.6587 9.6587 9.7385 9.7385 9.7385 9.7385 9.7712 9.7712 9.7712 9.7712 9.9016 9.9016 9.9016 9.9016 k = 0.0617 0.1069 0.7140 ( 12460 PWs) bands (ev): -0.1495 -0.1495 -0.1495 -0.1495 0.6939 0.6939 0.6939 0.6939 0.6971 0.6971 0.6971 0.6971 5.0077 5.0077 5.0077 5.0077 5.0440 5.0440 5.0440 5.0440 5.8563 5.8563 5.8563 5.8563 6.3445 6.3445 6.3445 6.3445 6.6174 6.6174 6.6174 6.6174 6.7760 6.7760 6.7760 6.7760 7.0006 7.0006 7.0006 7.0006 7.3699 7.3699 7.3699 7.3699 7.4071 7.4071 7.4071 7.4071 7.9368 7.9368 7.9368 7.9368 8.2600 8.2600 8.2600 8.2600 8.2940 8.2940 8.2940 8.2940 9.6734 9.6734 9.6734 9.6734 9.7329 9.7329 9.7329 9.7329 9.7616 9.7616 9.7616 9.7616 9.9076 9.9076 9.9076 9.9076 k = 0.0494 0.0855 0.7140 ( 12462 PWs) bands (ev): -0.1584 -0.1584 -0.1584 -0.1584 0.6997 0.6997 0.6997 0.6997 0.7028 0.7028 0.7028 0.7028 5.0280 5.0280 5.0280 5.0280 5.0564 5.0564 5.0564 5.0564 5.8146 5.8146 5.8146 5.8146 6.3646 6.3646 6.3646 6.3646 6.6400 6.6400 6.6400 6.6400 6.7748 6.7748 6.7748 6.7748 6.9665 6.9665 6.9665 6.9665 7.3642 7.3642 7.3642 7.3642 7.3902 7.3902 7.3902 7.3902 7.9313 7.9313 7.9313 7.9313 8.2501 8.2501 8.2501 8.2501 8.2839 8.2839 8.2839 8.2839 9.6848 9.6848 9.6848 9.6848 9.7270 9.7270 9.7270 9.7270 9.7552 9.7552 9.7552 9.7552 9.9131 9.9131 9.9131 9.9131 k = 0.0370 0.0642 0.7140 ( 12462 PWs) bands (ev): -0.1654 -0.1654 -0.1654 -0.1654 0.7043 0.7043 0.7043 0.7043 0.7073 0.7073 0.7073 0.7073 5.0455 5.0455 5.0455 5.0455 5.0672 5.0672 5.0672 5.0672 5.7796 5.7796 5.7796 5.7796 6.3755 6.3755 6.3755 6.3755 6.6712 6.6712 6.6712 6.6712 6.7743 6.7743 6.7743 6.7743 6.9310 6.9310 6.9310 6.9310 7.3594 7.3594 7.3594 7.3594 7.3765 7.3765 7.3765 7.3765 7.9270 7.9270 7.9270 7.9270 8.2423 8.2423 8.2423 8.2423 8.2760 8.2760 8.2760 8.2760 9.6932 9.6932 9.6932 9.6932 9.7211 9.7211 9.7211 9.7211 9.7516 9.7516 9.7516 9.7516 9.9178 9.9178 9.9178 9.9178 k = 0.0247 0.0428 0.7140 ( 12454 PWs) bands (ev): -0.1704 -0.1704 -0.1704 -0.1704 0.7076 0.7076 0.7076 0.7076 0.7105 0.7105 0.7105 0.7105 5.0586 5.0586 5.0586 5.0586 5.0762 5.0762 5.0762 5.0762 5.7530 5.7530 5.7530 5.7530 6.3804 6.3804 6.3804 6.3804 6.7064 6.7064 6.7064 6.7064 6.7752 6.7752 6.7752 6.7752 6.8947 6.8947 6.8947 6.8947 7.3554 7.3554 7.3554 7.3554 7.3666 7.3666 7.3666 7.3666 7.9240 7.9240 7.9240 7.9240 8.2366 8.2366 8.2366 8.2366 8.2704 8.2704 8.2704 8.2704 9.6991 9.6991 9.6991 9.6991 9.7160 9.7160 9.7160 9.7160 9.7499 9.7499 9.7499 9.7499 9.9214 9.9214 9.9214 9.9214 k = 0.0123 0.0214 0.7140 ( 12422 PWs) bands (ev): -0.1734 -0.1734 -0.1734 -0.1734 0.7095 0.7095 0.7095 0.7095 0.7124 0.7124 0.7124 0.7124 5.0663 5.0663 5.0663 5.0663 5.0827 5.0827 5.0827 5.0827 5.7362 5.7362 5.7362 5.7362 6.3822 6.3822 6.3822 6.3822 6.7373 6.7373 6.7373 6.7373 6.7803 6.7803 6.7803 6.7803 6.8597 6.8597 6.8597 6.8597 7.3523 7.3523 7.3523 7.3523 7.3611 7.3611 7.3611 7.3611 7.9221 7.9221 7.9221 7.9221 8.2332 8.2332 8.2332 8.2332 8.2670 8.2670 8.2670 8.2670 9.7033 9.7033 9.7033 9.7033 9.7118 9.7118 9.7118 9.7118 9.7494 9.7494 9.7494 9.7494 9.9236 9.9236 9.9236 9.9236 k = 0.0000 0.0000 0.7140 ( 12420 PWs) bands (ev): -0.1744 -0.1744 -0.1744 -0.1744 0.7102 0.7102 0.7102 0.7102 0.7131 0.7131 0.7131 0.7131 5.0687 5.0687 5.0687 5.0687 5.0851 5.0851 5.0851 5.0851 5.7304 5.7304 5.7304 5.7304 6.3826 6.3826 6.3826 6.3826 6.7492 6.7492 6.7492 6.7492 6.7889 6.7889 6.7889 6.7889 6.8397 6.8397 6.8397 6.8397 7.3511 7.3511 7.3511 7.3511 7.3594 7.3594 7.3594 7.3594 7.9215 7.9215 7.9215 7.9215 8.2320 8.2320 8.2320 8.2320 8.2659 8.2659 8.2659 8.2659 9.7054 9.7054 9.7054 9.7054 9.7095 9.7095 9.7095 9.7095 9.7493 9.7493 9.7493 9.7493 9.9244 9.9244 9.9244 9.9244 k = 0.5000 0.2887 0.7140 ( 12508 PWs) bands (ev): 0.2583 0.2583 0.2583 0.2583 0.3074 0.3074 0.3074 0.3074 0.6111 0.6111 0.6111 0.6111 4.7186 4.7186 4.7186 4.7186 4.9843 4.9843 4.9843 4.9843 5.6449 5.6449 5.6449 5.6449 6.5100 6.5100 6.5100 6.5100 6.6979 6.6979 6.6979 6.6979 6.8894 6.8894 6.8894 6.8894 7.4118 7.4118 7.4118 7.4118 7.5357 7.5357 7.5357 7.5357 7.6362 7.6362 7.6362 7.6362 8.1920 8.1920 8.1920 8.1920 8.4477 8.4477 8.4477 8.4477 8.7296 8.7296 8.7296 8.7296 9.0528 9.0528 9.0528 9.0528 9.9017 9.9017 9.9017 9.9017 9.9567 9.9567 9.9567 9.9567 9.9919 9.9919 9.9920 9.9920 k = 0.5000 0.2887 0.6894 ( 12504 PWs) bands (ev): 0.2010 0.2010 0.2769 0.2769 0.3162 0.3162 0.3329 0.3329 0.6038 0.6038 0.6227 0.6227 4.7059 4.7059 4.7244 4.7244 4.9753 4.9753 5.0037 5.0037 5.6078 5.6078 5.6806 5.6806 6.4937 6.4937 6.5274 6.5274 6.6793 6.6793 6.7181 6.7181 6.8747 6.8747 6.9042 6.9042 7.3738 7.3738 7.4489 7.4489 7.4758 7.4758 7.5935 7.5935 7.6242 7.6242 7.6467 7.6467 8.1838 8.1838 8.1969 8.1969 8.4174 8.4174 8.4770 8.4770 8.7074 8.7074 8.7550 8.7550 9.0106 9.0106 9.0942 9.0942 9.8619 9.8619 9.9174 9.9174 9.9306 9.9306 9.9666 9.9666 9.9812 9.9812 10.0228 10.0228 k = 0.5000 0.2887 0.6648 ( 12524 PWs) bands (ev): 0.1446 0.1446 0.2430 0.2430 0.3511 0.3511 0.3749 0.3749 0.6027 0.6027 0.6367 0.6367 4.6874 4.6874 4.7241 4.7241 4.9755 4.9755 5.0329 5.0329 5.5698 5.5698 5.7143 5.7143 6.4784 6.4784 6.5453 6.5453 6.6627 6.6627 6.7393 6.7393 6.8604 6.8604 6.9188 6.9188 7.3353 7.3353 7.4165 7.4165 7.4844 7.4844 7.6025 7.6025 7.6514 7.6514 7.6592 7.6592 8.1727 8.1727 8.1986 8.1986 8.3867 8.3867 8.5048 8.5048 8.6880 8.6880 8.7838 8.7838 8.9689 8.9689 9.1333 9.1333 9.8146 9.8146 9.8865 9.8865 9.8979 9.8979 9.9744 9.9744 9.9991 9.9991 10.0478 10.0478 k = 0.5000 0.2887 0.6402 ( 12504 PWs) bands (ev): 0.0891 0.0891 0.2070 0.2070 0.3606 0.3606 0.4338 0.4338 0.6095 0.6095 0.6521 0.6521 4.6652 4.6652 4.7198 4.7198 4.9825 4.9825 5.0698 5.0698 5.5315 5.5315 5.7453 5.7453 6.4645 6.4645 6.5632 6.5632 6.6484 6.6484 6.7612 6.7612 6.8468 6.8468 6.9333 6.9333 7.2968 7.2968 7.3588 7.3588 7.5168 7.5168 7.5856 7.5856 7.6541 7.6541 7.7142 7.7142 8.1588 8.1588 8.1974 8.1974 8.3561 8.3561 8.5302 8.5302 8.6712 8.6712 8.8160 8.8160 8.9294 8.9294 9.1684 9.1684 9.7634 9.7634 9.8454 9.8454 9.8527 9.8527 9.9849 9.9849 10.0062 10.0062 10.0621 10.0621 k = 0.5000 0.2887 0.6156 ( 12508 PWs) bands (ev): 0.0348 0.0348 0.1699 0.1699 0.3610 0.3610 0.4930 0.4930 0.6244 0.6244 0.6679 0.6679 4.6417 4.6417 4.7136 4.7136 4.9938 4.9938 5.1123 5.1123 5.4934 5.4934 5.7729 5.7729 6.4518 6.4518 6.5806 6.5806 6.6369 6.6369 6.7832 6.7832 6.8347 6.8347 6.9477 6.9477 7.2587 7.2587 7.3037 7.3037 7.5397 7.5397 7.5736 7.5736 7.6499 7.6499 7.7678 7.7678 8.1428 8.1428 8.1936 8.1936 8.3258 8.3258 8.5523 8.5523 8.6567 8.6567 8.8516 8.8516 8.8934 8.8934 9.1975 9.1975 9.7107 9.7107 9.7969 9.7969 9.8056 9.8056 9.9800 9.9800 9.9941 9.9941 10.0503 10.0503 k = 0.5000 0.2887 0.5909 ( 12508 PWs) bands (ev): -0.0183 -0.0183 0.1321 0.1321 0.3539 0.3539 0.5522 0.5522 0.6459 0.6459 0.6836 0.6836 4.6184 4.6184 4.7072 4.7072 5.0073 5.0073 5.1587 5.1587 5.4560 5.4560 5.7967 5.7967 6.4399 6.4399 6.5964 6.5964 6.6284 6.6284 6.8029 6.8029 6.8271 6.8271 6.9623 6.9623 7.2213 7.2213 7.2519 7.2519 7.5328 7.5328 7.5871 7.5871 7.6397 7.6397 7.8171 7.8171 8.1252 8.1252 8.1877 8.1877 8.2961 8.2961 8.5701 8.5701 8.6442 8.6442 8.8626 8.8626 8.8905 8.8905 9.2186 9.2186 9.6580 9.6580 9.7420 9.7420 9.7577 9.7577 9.9400 9.9400 9.9844 9.9844 10.0479 10.0479 k = 0.5000 0.2887 0.5663 ( 12502 PWs) bands (ev): -0.0700 -0.0700 0.0942 0.0942 0.3413 0.3413 0.6113 0.6113 0.6717 0.6717 0.6989 0.6989 4.5966 4.5966 4.7018 4.7018 5.0216 5.0216 5.2073 5.2073 5.4195 5.4195 5.8162 5.8162 6.4283 6.4283 6.6094 6.6094 6.6234 6.6234 6.8089 6.8089 6.8359 6.8359 6.9772 6.9772 7.1846 7.1846 7.2044 7.2044 7.5130 7.5130 7.6093 7.6093 7.6233 7.6233 7.8602 7.8602 8.1066 8.1066 8.1804 8.1804 8.2674 8.2674 8.5828 8.5828 8.6333 8.6333 8.8386 8.8386 8.9321 8.9321 9.2296 9.2296 9.6066 9.6066 9.6830 9.6830 9.7083 9.7083 9.8941 9.8941 9.9718 9.9718 10.0522 10.0522 k = 0.5000 0.2887 0.5417 ( 12490 PWs) bands (ev): -0.1203 -0.1203 0.0564 0.0564 0.3252 0.3252 0.6701 0.6701 0.7000 0.7000 0.7135 0.7135 4.5770 4.5770 4.6984 4.6984 5.0358 5.0358 5.2569 5.2569 5.3846 5.3846 5.8313 5.8313 6.4162 6.4162 6.6170 6.6170 6.6233 6.6233 6.8070 6.8070 6.8564 6.8564 6.9929 6.9929 7.1488 7.1488 7.1623 7.1623 7.4912 7.4912 7.6004 7.6004 7.6293 7.6293 7.8956 7.8956 8.0879 8.0879 8.1720 8.1720 8.2397 8.2397 8.5904 8.5904 8.6240 8.6240 8.8221 8.8221 8.9759 8.9759 9.2292 9.2292 9.5570 9.5570 9.6200 9.6200 9.6586 9.6586 9.8515 9.8515 9.9560 9.9560 10.0591 10.0591 k = 0.5000 0.2887 0.5171 ( 12480 PWs) bands (ev): -0.1690 -0.1690 0.0191 0.0191 0.3068 0.3068 0.7257 0.7257 0.7284 0.7284 0.7308 0.7308 4.5600 4.5600 4.6977 4.6977 5.0492 5.0492 5.3057 5.3057 5.3522 5.3522 5.8419 5.8419 6.4024 6.4024 6.6195 6.6195 6.6264 6.6264 6.8084 6.8084 6.8781 6.8781 7.0096 7.0096 7.1145 7.1145 7.1261 7.1261 7.4691 7.4691 7.5720 7.5720 7.6447 7.6447 7.9215 7.9215 8.0698 8.0698 8.1630 8.1630 8.2132 8.2132 8.5939 8.5939 8.6159 8.6159 8.8124 8.8124 9.0211 9.0211 9.2166 9.2166 9.5099 9.5099 9.5537 9.5537 9.6102 9.6102 9.8143 9.8143 9.9397 9.9397 10.0642 10.0642 k = 0.5000 0.2887 0.4924 ( 12488 PWs) bands (ev): -0.2161 -0.2161 -0.0174 -0.0174 0.2871 0.2871 0.7392 0.7392 0.7593 0.7593 0.7862 0.7862 4.5457 4.5457 4.7000 4.7000 5.0615 5.0615 5.3161 5.3161 5.3592 5.3592 5.8485 5.8485 6.3860 6.3860 6.6223 6.6223 6.6266 6.6266 6.8146 6.8146 6.8996 6.8996 7.0267 7.0267 7.0842 7.0842 7.0950 7.0950 7.4469 7.4469 7.5385 7.5385 7.6554 7.6554 7.9367 7.9367 8.0530 8.0530 8.1535 8.1535 8.1881 8.1881 8.5952 8.5952 8.6090 8.6090 8.8081 8.8081 9.0659 9.0659 9.1924 9.1924 9.4655 9.4655 9.4857 9.4857 9.5644 9.5644 9.7834 9.7834 9.9245 9.9245 10.0639 10.0639 k = 0.5000 0.2887 0.4678 ( 12490 PWs) bands (ev): -0.2614 -0.2614 -0.0532 -0.0532 0.2667 0.2667 0.7506 0.7506 0.7887 0.7887 0.8428 0.8428 4.5342 4.5342 4.7059 4.7059 5.0727 5.0727 5.2876 5.2876 5.4055 5.4055 5.8513 5.8513 6.3663 6.3663 6.6197 6.6197 6.6292 6.6292 6.8251 6.8251 6.9205 6.9205 7.0348 7.0348 7.0671 7.0671 7.0700 7.0700 7.4244 7.4244 7.5012 7.5012 7.6616 7.6616 7.9408 7.9408 8.0379 8.0379 8.1437 8.1437 8.1645 8.1645 8.5958 8.5958 8.6030 8.6030 8.8072 8.8072 9.1070 9.1070 9.1582 9.1582 9.4199 9.4199 9.4242 9.4242 9.5218 9.5218 9.7596 9.7596 9.9114 9.9114 10.0592 10.0592 k = 0.5000 0.2887 0.4432 ( 12468 PWs) bands (ev): -0.3049 -0.3049 -0.0878 -0.0878 0.2461 0.2461 0.7607 0.7607 0.8171 0.8171 0.8983 0.8983 4.5254 4.5254 4.7154 4.7154 5.0828 5.0828 5.2601 5.2601 5.4506 5.4506 5.8510 5.8510 6.3430 6.3430 6.6115 6.6115 6.6344 6.6344 6.8388 6.8388 6.9405 6.9405 7.0190 7.0190 7.0445 7.0445 7.0854 7.0854 7.4012 7.4012 7.4614 7.4614 7.6641 7.6641 7.9343 7.9343 8.0249 8.0249 8.1329 8.1329 8.1429 8.1429 8.5954 8.5954 8.5981 8.5981 8.8088 8.8088 9.1161 9.1161 9.1358 9.1358 9.3660 9.3660 9.3855 9.3855 9.4829 9.4829 9.7435 9.7435 9.9005 9.9005 10.0520 10.0520 k = 0.5000 0.2887 0.4186 ( 12480 PWs) bands (ev): -0.3464 -0.3464 -0.1213 -0.1213 0.2257 0.2257 0.7697 0.7697 0.8444 0.8444 0.9525 0.9525 4.5190 4.5190 4.7289 4.7289 5.0922 5.0922 5.2348 5.2348 5.4927 5.4927 5.8480 5.8480 6.3162 6.3162 6.6008 6.6008 6.6386 6.6386 6.8544 6.8544 6.9595 6.9595 6.9995 6.9995 7.0246 7.0246 7.1124 7.1124 7.3765 7.3765 7.4211 7.4211 7.6644 7.6644 7.9185 7.9185 8.0138 8.0138 8.1182 8.1182 8.1263 8.1263 8.5918 8.5918 8.5950 8.5950 8.8127 8.8127 9.0683 9.0683 9.1339 9.1339 9.3393 9.3393 9.3529 9.3529 9.4481 9.4481 9.7353 9.7353 9.8919 9.8919 10.0435 10.0435 k = 0.5000 0.2887 0.3940 ( 12470 PWs) bands (ev): -0.3860 -0.3860 -0.1535 -0.1535 0.2055 0.2055 0.7774 0.7774 0.8703 0.8703 1.0051 1.0051 4.5147 4.5147 4.7464 4.7464 5.1014 5.1014 5.2117 5.2117 5.5311 5.5311 5.8430 5.8430 6.2865 6.2865 6.5886 6.5886 6.6397 6.6397 6.8707 6.8707 6.9768 6.9768 6.9832 6.9832 7.0078 7.0078 7.1439 7.1439 7.3496 7.3496 7.3825 7.3825 7.6643 7.6643 7.8955 7.8955 8.0044 8.0044 8.0996 8.0996 8.1146 8.1146 8.5868 8.5868 8.5900 8.5900 8.8189 8.8189 9.0169 9.0169 9.0937 9.0937 9.3128 9.3128 9.3602 9.3602 9.4186 9.4186 9.7348 9.7348 9.8854 9.8854 10.0341 10.0341 k = 0.5000 0.2887 0.3693 ( 12468 PWs) bands (ev): -0.4236 -0.4236 -0.1842 -0.1842 0.1859 0.1859 0.7840 0.7840 0.8946 0.8946 1.0559 1.0559 4.5121 4.5121 4.7679 4.7679 5.1108 5.1108 5.1910 5.1910 5.5651 5.5651 5.8364 5.8364 6.2546 6.2546 6.5756 6.5756 6.6359 6.6359 6.8868 6.8868 6.9685 6.9685 6.9909 6.9909 6.9963 6.9963 7.1786 7.1786 7.3206 7.3206 7.3476 7.3476 7.6656 7.6656 7.8671 7.8671 7.9962 7.9962 8.0814 8.0814 8.1032 8.1032 8.5786 8.5786 8.5835 8.5835 8.8272 8.8272 8.9636 8.9636 9.0332 9.0332 9.2815 9.2815 9.3778 9.3778 9.4113 9.4113 9.7414 9.7414 9.8806 9.8806 10.0245 10.0245 k = 0.5000 0.2887 0.3447 ( 12468 PWs) bands (ev): -0.4590 -0.4590 -0.2134 -0.2134 0.1670 0.1670 0.7894 0.7894 0.9173 0.9173 1.1046 1.1046 4.5108 4.5108 4.7934 4.7934 5.1212 5.1212 5.1729 5.1729 5.5942 5.5942 5.8286 5.8286 6.2213 6.2213 6.5623 6.5623 6.6259 6.6259 6.9020 6.9020 6.9567 6.9567 6.9792 6.9792 7.0092 7.0092 7.2158 7.2158 7.2913 7.2913 7.3183 7.3183 7.6697 7.6697 7.8353 7.8353 7.9889 7.9889 8.0643 8.0643 8.0915 8.0915 8.5642 8.5642 8.5784 8.5784 8.8365 8.8365 8.9100 8.9100 8.9663 8.9663 9.2516 9.2516 9.3616 9.3616 9.4507 9.4507 9.7541 9.7541 9.8773 9.8773 10.0150 10.0150 k = 0.5000 0.2887 0.3201 ( 12464 PWs) bands (ev): -0.4922 -0.4922 -0.2410 -0.2410 0.1490 0.1490 0.7939 0.7939 0.9383 0.9383 1.1512 1.1512 4.5104 4.5104 4.8228 4.8228 5.1328 5.1328 5.1574 5.1574 5.6180 5.6180 5.8202 5.8202 6.1875 6.1875 6.5489 6.5489 6.6091 6.6091 6.9155 6.9155 6.9451 6.9451 6.9658 6.9658 7.0215 7.0215 7.2533 7.2533 7.2623 7.2623 7.2991 7.2991 7.6774 7.6774 7.8019 7.8019 7.9822 7.9822 8.0483 8.0483 8.0791 8.0791 8.5457 8.5457 8.5734 8.5734 8.8424 8.8424 8.8603 8.8603 8.8983 8.8983 9.2234 9.2234 9.3444 9.3444 9.4983 9.4983 9.7716 9.7716 9.8753 9.8753 10.0057 10.0057 k = 0.5000 0.2887 0.2955 ( 12480 PWs) bands (ev): -0.5232 -0.5232 -0.2669 -0.2669 0.1319 0.1319 0.7975 0.7975 0.9575 0.9575 1.1952 1.1952 4.5104 4.5104 4.8560 4.8560 5.1403 5.1403 5.1504 5.1504 5.6362 5.6362 5.8113 5.8113 6.1540 6.1540 6.5354 6.5354 6.5859 6.5859 6.9245 6.9245 6.9342 6.9342 6.9515 6.9515 7.0305 7.0305 7.2304 7.2304 7.2843 7.2843 7.3034 7.3034 7.6887 7.6887 7.7685 7.7685 7.9760 7.9760 8.0332 8.0332 8.0659 8.0659 8.5244 8.5244 8.5682 8.5682 8.8027 8.8027 8.8307 8.8307 8.8571 8.8571 9.1967 9.1967 9.3313 9.3313 9.5469 9.5469 9.7929 9.7929 9.8743 9.8743 9.9970 9.9970 k = 0.5000 0.2887 0.2708 ( 12464 PWs) bands (ev): -0.5519 -0.5519 -0.2909 -0.2909 0.1159 0.1159 0.8003 0.8003 0.9750 0.9750 1.2366 1.2366 4.5105 4.5105 4.8927 4.8927 5.1311 5.1311 5.1649 5.1649 5.6486 5.6486 5.8022 5.8022 6.1214 6.1214 6.5214 6.5214 6.5577 6.5577 6.9120 6.9120 6.9371 6.9371 6.9391 6.9391 7.0344 7.0344 7.2007 7.2007 7.2972 7.2972 7.3399 7.3399 7.7021 7.7021 7.7377 7.7377 7.9703 7.9703 8.0190 8.0190 8.0519 8.0519 8.5015 8.5015 8.5628 8.5628 8.7535 8.7535 8.7669 8.7669 8.8621 8.8621 9.1714 9.1714 9.3227 9.3227 9.5946 9.5946 9.8166 9.8166 9.8741 9.8741 9.9889 9.9889 k = 0.5000 0.2887 0.2462 ( 12476 PWs) bands (ev): -0.5782 -0.5782 -0.3131 -0.3131 0.1010 0.1010 0.8023 0.8023 0.9907 0.9907 1.2751 1.2751 4.5103 4.5103 4.9327 4.9327 5.1222 5.1222 5.1841 5.1841 5.6550 5.6550 5.7932 5.7932 6.0903 6.0903 6.5031 6.5031 6.5291 6.5291 6.8908 6.8908 6.9249 6.9249 6.9455 6.9455 7.0304 7.0304 7.1763 7.1763 7.3184 7.3184 7.3802 7.3802 7.6988 7.6988 7.7283 7.7283 7.9653 7.9653 8.0055 8.0055 8.0368 8.0368 8.4781 8.4781 8.5574 8.5574 8.7045 8.7045 8.7079 8.7079 8.8650 8.8650 9.1476 9.1476 9.3183 9.3183 9.6403 9.6403 9.8414 9.8414 9.8748 9.8748 9.9816 9.9816 k = 0.5000 0.2887 0.2216 ( 12474 PWs) bands (ev): -0.6022 -0.6022 -0.3334 -0.3334 0.0873 0.0873 0.8038 0.8038 1.0047 1.0047 1.3105 1.3105 4.5097 4.5097 4.9756 4.9756 5.1150 5.1150 5.2062 5.2062 5.6556 5.6556 5.7844 5.7844 6.0611 6.0611 6.4718 6.4718 6.5098 6.5098 6.8675 6.8675 6.9138 6.9138 6.9498 6.9498 7.0160 7.0160 7.1609 7.1609 7.3482 7.3482 7.4204 7.4204 7.6737 7.6737 7.7453 7.7453 7.9613 7.9613 7.9927 7.9927 8.0205 8.0205 8.4552 8.4552 8.5520 8.5520 8.6481 8.6481 8.6632 8.6632 8.8654 8.8654 9.1254 9.1254 9.3174 9.3174 9.6834 9.6834 9.8640 9.8640 9.8784 9.8784 9.9752 9.9752 k = 0.5000 0.2887 0.1970 ( 12432 PWs) bands (ev): -0.6238 -0.6238 -0.3516 -0.3516 0.0750 0.0750 0.8047 0.8047 1.0170 1.0170 1.3427 1.3427 4.5087 4.5087 5.0211 5.0211 5.1097 5.1097 5.2309 5.2309 5.6504 5.6504 5.7759 5.7759 6.0342 6.0342 6.4313 6.4313 6.4976 6.4976 6.8445 6.8445 6.9038 6.9038 6.9516 6.9516 6.9924 6.9924 7.1546 7.1546 7.3844 7.3844 7.4593 7.4593 7.6498 7.6498 7.7648 7.7648 7.9586 7.9586 7.9803 7.9803 8.0028 8.0028 8.4332 8.4332 8.5467 8.5467 8.5953 8.5953 8.6228 8.6228 8.8636 8.8636 9.1047 9.1047 9.3194 9.3194 9.7233 9.7233 9.8724 9.8724 9.8960 9.8960 9.9697 9.9697 k = 0.5000 0.2887 0.1724 ( 12448 PWs) bands (ev): -0.6429 -0.6429 -0.3679 -0.3679 0.0639 0.0639 0.8053 0.8053 1.0277 1.0277 1.3715 1.3715 4.5073 4.5073 5.0684 5.0684 5.1061 5.1061 5.2578 5.2578 5.6395 5.6395 5.7678 5.7678 6.0099 6.0099 6.3873 6.3873 6.4879 6.4879 6.8233 6.8233 6.8947 6.8947 6.9510 6.9510 6.9639 6.9639 7.1541 7.1541 7.4246 7.4246 7.4962 7.4962 7.6296 7.6296 7.7836 7.7836 7.9574 7.9574 7.9688 7.9688 7.9835 7.9835 8.4129 8.4129 8.5404 8.5404 8.5486 8.5486 8.5862 8.5862 8.8601 8.8601 9.0858 9.0858 9.3232 9.3232 9.7594 9.7594 9.8742 9.8742 9.9189 9.9189 9.9652 9.9652 k = 0.5000 0.2887 0.1477 ( 12444 PWs) bands (ev): -0.6595 -0.6595 -0.3821 -0.3821 0.0542 0.0542 0.8056 0.8056 1.0369 1.0369 1.3967 1.3967 4.5056 4.5056 5.1010 5.1010 5.1201 5.1201 5.2859 5.2859 5.6229 5.6229 5.7603 5.7603 5.9885 5.9885 6.3426 6.3426 6.4797 6.4797 6.8047 6.8047 6.8864 6.8864 6.9339 6.9339 6.9490 6.9490 7.1564 7.1564 7.4671 7.4671 7.5299 7.5299 7.6140 7.6140 7.7998 7.7998 7.9537 7.9537 7.9622 7.9622 7.9627 7.9627 8.3946 8.3946 8.5035 8.5035 8.5380 8.5380 8.5538 8.5538 8.8558 8.8558 9.0689 9.0689 9.3280 9.3280 9.7915 9.7915 9.8752 9.8752 9.9403 9.9403 9.9621 9.9621 k = 0.5000 0.2887 0.1231 ( 12452 PWs) bands (ev): -0.6736 -0.6736 -0.3941 -0.3941 0.0460 0.0460 0.8057 0.8057 1.0445 1.0445 1.4183 1.4183 4.5037 4.5037 5.1004 5.1004 5.1694 5.1694 5.3142 5.3142 5.6010 5.6010 5.7536 5.7536 5.9702 5.9702 6.2991 6.2991 6.4729 6.4729 6.7889 6.7889 6.8788 6.8788 6.9061 6.9061 6.9452 6.9452 7.1598 7.1598 7.5102 7.5102 7.5574 7.5574 7.6057 7.6057 7.8126 7.8126 7.9384 7.9384 7.9444 7.9444 7.9656 7.9656 8.3786 8.3786 8.4665 8.4665 8.5255 8.5255 8.5341 8.5341 8.8511 8.8511 9.0540 9.0540 9.3331 9.3331 9.8190 9.8190 9.8759 9.8759 9.9541 9.9541 9.9651 9.9651 k = 0.5000 0.2887 0.0985 ( 12458 PWs) bands (ev): -0.6852 -0.6852 -0.4040 -0.4040 0.0392 0.0392 0.8056 0.8056 1.0507 1.0507 1.4361 1.4361 4.5019 4.5019 5.0996 5.0996 5.2203 5.2203 5.3413 5.3413 5.5738 5.5738 5.7478 5.7478 5.9551 5.9551 6.2590 6.2590 6.4673 6.4673 6.7760 6.7760 6.8705 6.8705 6.8835 6.8835 6.9408 6.9408 7.1634 7.1634 7.5510 7.5510 7.5718 7.5718 7.6120 7.6120 7.8217 7.8217 7.9136 7.9136 7.9336 7.9336 7.9717 7.9717 8.3652 8.3652 8.4355 8.4355 8.5022 8.5022 8.5306 8.5306 8.8466 8.8466 9.0415 9.0415 9.3380 9.3380 9.8419 9.8419 9.8765 9.8765 9.9543 9.9543 9.9795 9.9795 k = 0.5000 0.2887 0.0739 ( 12460 PWs) bands (ev): -0.6942 -0.6942 -0.4117 -0.4117 0.0339 0.0339 0.8055 0.8055 1.0554 1.0554 1.4500 1.4500 4.5002 4.5002 5.0991 5.0991 5.2711 5.2711 5.3655 5.3655 5.5419 5.5419 5.7431 5.7431 5.9432 5.9432 6.2243 6.2243 6.4629 6.4629 6.7662 6.7662 6.8564 6.8564 6.8723 6.8723 6.9366 6.9366 7.1665 7.1665 7.5660 7.5660 7.5960 7.5960 7.6309 7.6309 7.8275 7.8275 7.8872 7.8872 7.9239 7.9239 7.9787 7.9787 8.3546 8.3546 8.4110 8.4110 8.4837 8.4837 8.5279 8.5279 8.8427 8.8427 9.0316 9.0316 9.3422 9.3422 9.8597 9.8597 9.8771 9.8771 9.9530 9.9530 9.9928 9.9928 k = 0.5000 0.2887 0.0492 ( 12466 PWs) bands (ev): -0.7007 -0.7007 -0.4173 -0.4173 0.0301 0.0301 0.8054 0.8054 1.0588 1.0588 1.4600 1.4600 4.4989 4.4989 5.0989 5.0989 5.3210 5.3210 5.3848 5.3848 5.5057 5.5057 5.7397 5.7397 5.9347 5.9347 6.1973 6.1973 6.4598 6.4598 6.7592 6.7592 6.8423 6.8423 6.8677 6.8677 6.9330 6.9330 7.1688 7.1688 7.5640 7.5640 7.6275 7.6275 7.6522 7.6522 7.8308 7.8308 7.8611 7.8611 7.9160 7.9160 7.9849 7.9849 8.3470 8.3470 8.3933 8.3933 8.4703 8.4703 8.5259 8.5259 8.8397 8.8397 9.0243 9.0243 9.3454 9.3454 9.8716 9.8716 9.8785 9.8785 9.9519 9.9519 10.0026 10.0026 k = 0.5000 0.2887 0.0246 ( 12454 PWs) bands (ev): -0.7046 -0.7046 -0.4206 -0.4206 0.0278 0.0278 0.8053 0.8053 1.0608 1.0608 1.4661 1.4661 4.4981 4.4981 5.0989 5.0989 5.3684 5.3684 5.3974 5.3974 5.4666 5.4666 5.7376 5.7376 5.9296 5.9296 6.1801 6.1801 6.4580 6.4580 6.7551 6.7551 6.8332 6.8332 6.8653 6.8653 6.9306 6.9306 7.1703 7.1703 7.5620 7.5620 7.6460 7.6460 7.6732 7.6732 7.8323 7.8323 7.8396 7.8396 7.9107 7.9107 7.9893 7.9893 8.3424 8.3424 8.3827 8.3827 8.4622 8.4622 8.5247 8.5247 8.8378 8.8378 9.0199 9.0199 9.3474 9.3474 9.8754 9.8754 9.8827 9.8827 9.9512 9.9512 10.0087 10.0087 k = 0.5000 0.2887-0.0000 ( 12450 PWs) bands (ev): -0.7059 -0.7059 -0.4217 -0.4217 0.0270 0.0270 0.8053 0.8053 1.0614 1.0614 1.4681 1.4681 4.4978 4.4978 5.0989 5.0989 5.4006 5.4006 5.4017 5.4017 5.4371 5.4371 5.7369 5.7369 5.9279 5.9279 6.1741 6.1741 6.4573 6.4573 6.7537 6.7537 6.8301 6.8301 6.8645 6.8645 6.9298 6.9298 7.1708 7.1708 7.5612 7.5612 7.6515 7.6515 7.6831 7.6831 7.8296 7.8296 7.8336 7.8336 7.9088 7.9088 7.9908 7.9908 8.3408 8.3408 8.3791 8.3791 8.4595 8.4595 8.5243 8.5243 8.8372 8.8372 9.0184 9.0184 9.3480 9.3480 9.8759 9.8759 9.8849 9.8849 9.9510 9.9510 10.0107 10.0107 k = 0.3333 0.5774-0.0000 ( 12471 PWs) bands (ev): -0.5115 -0.5115 -0.5075 -0.5075 -0.0940 -0.0940 0.6508 0.6508 1.3257 1.3257 1.3303 1.3303 4.8504 4.8504 5.1756 5.1756 5.2021 5.2021 5.2432 5.2432 5.2511 5.2511 6.0709 6.0709 6.1245 6.1245 6.1897 6.1897 6.1950 6.1950 6.2384 6.2384 6.6973 6.6973 6.7109 6.7109 7.3660 7.3660 7.3690 7.3690 7.6578 7.6578 7.6609 7.6609 7.6806 7.6806 7.9395 7.9395 7.9539 7.9539 7.9881 7.9881 8.0085 8.0085 8.0469 8.0469 8.3409 8.3409 8.5396 8.5396 8.5431 8.5431 8.7372 8.7372 9.2228 9.2228 9.2333 9.2333 9.8615 9.8615 9.9268 9.9268 9.9591 9.9591 10.1809 10.1809 k = 0.3333 0.5774 0.0246 ( 12477 PWs) bands (ev): -0.5103 -0.5103 -0.5063 -0.5063 -0.0932 -0.0932 0.6508 0.6508 1.3244 1.3244 1.3290 1.3290 4.8483 4.8483 5.1733 5.1733 5.1989 5.1989 5.2429 5.2429 5.2519 5.2519 6.0754 6.0754 6.1243 6.1243 6.1448 6.1448 6.2333 6.2333 6.2534 6.2534 6.6982 6.6982 6.7119 6.7119 7.3676 7.3676 7.3705 7.3705 7.6507 7.6507 7.6556 7.6556 7.6775 7.6775 7.9453 7.9453 7.9592 7.9592 7.9854 7.9854 8.0060 8.0060 8.0511 8.0511 8.3420 8.3420 8.5416 8.5416 8.5451 8.5451 8.7385 8.7385 9.2224 9.2224 9.2330 9.2330 9.8578 9.8578 9.9241 9.9241 9.9556 9.9556 10.1862 10.1862 k = 0.3333 0.5774 0.0492 ( 12492 PWs) bands (ev): -0.5067 -0.5067 -0.5027 -0.5027 -0.0907 -0.0907 0.6509 0.6509 1.3205 1.3205 1.3251 1.3251 4.8420 4.8420 5.1658 5.1658 5.1894 5.1894 5.2428 5.2428 5.2545 5.2545 6.0865 6.0865 6.0886 6.0886 6.1451 6.1451 6.2392 6.2392 6.3092 6.3092 6.7011 6.7011 6.7146 6.7146 7.3722 7.3722 7.3752 7.3752 7.6311 7.6311 7.6384 7.6384 7.6713 7.6713 7.9610 7.9610 7.9703 7.9703 7.9804 7.9804 8.0017 8.0017 8.0610 8.0610 8.3452 8.3452 8.5477 8.5477 8.5512 8.5512 8.7425 8.7425 9.2214 9.2214 9.2323 9.2323 9.8471 9.8471 9.9153 9.9153 9.9470 9.9470 10.2007 10.2009 k = 0.3333 0.5774 0.0739 ( 12492 PWs) bands (ev): -0.5006 -0.5006 -0.4966 -0.4966 -0.0866 -0.0866 0.6511 0.6511 1.3140 1.3140 1.3185 1.3185 4.8317 4.8317 5.1524 5.1524 5.1740 5.1740 5.2443 5.2443 5.2594 5.2594 6.0398 6.0398 6.1094 6.1094 6.1641 6.1641 6.2447 6.2447 6.3704 6.3704 6.7059 6.7059 6.7193 6.7193 7.3797 7.3797 7.3828 7.3828 7.6024 7.6024 7.6108 7.6108 7.6639 7.6639 7.9605 7.9605 7.9833 7.9833 7.9918 7.9918 8.0034 8.0034 8.0737 8.0737 8.3506 8.3506 8.5580 8.5580 8.5615 8.5615 8.7491 8.7491 9.2196 9.2196 9.2310 9.2310 9.8308 9.8308 9.8993 9.8993 9.9370 9.9370 10.2204 10.2206 k = 0.3333 0.5774 0.0985 ( 12495 PWs) bands (ev): -0.4922 -0.4922 -0.4882 -0.4882 -0.0808 -0.0808 0.6512 0.6512 1.3049 1.3049 1.3093 1.3093 4.8179 4.8179 5.1336 5.1336 5.1538 5.1538 5.2486 5.2486 5.2663 5.2663 5.9950 5.9950 6.1365 6.1365 6.1897 6.1897 6.2522 6.2522 6.4342 6.4342 6.7126 6.7126 6.7257 6.7257 7.3896 7.3896 7.3928 7.3928 7.5682 7.5682 7.5770 7.5770 7.6547 7.6547 7.9426 7.9426 7.9912 7.9912 8.0090 8.0090 8.0252 8.0252 8.0878 8.0878 8.3582 8.3582 8.5726 8.5726 8.5762 8.5762 8.7581 8.7581 9.2172 9.2172 9.2292 9.2292 9.8101 9.8101 9.8772 9.8772 9.9269 9.9269 10.2427 10.2433 k = 0.3333 0.5774 0.1231 ( 12483 PWs) bands (ev): -0.4814 -0.4814 -0.4774 -0.4774 -0.0735 -0.0735 0.6513 0.6513 1.2931 1.2931 1.2975 1.2975 4.8010 4.8010 5.1104 5.1104 5.1301 5.1301 5.2554 5.2554 5.2752 5.2752 5.9523 5.9523 6.1683 6.1683 6.2195 6.2195 6.2623 6.2623 6.5001 6.5001 6.7210 6.7210 6.7339 6.7339 7.4006 7.4006 7.4040 7.4040 7.5321 7.5321 7.5408 7.5408 7.6434 7.6434 7.9214 7.9214 7.9885 7.9885 8.0360 8.0360 8.0513 8.0513 8.1029 8.1029 8.3679 8.3679 8.5917 8.5917 8.5954 8.5954 8.7696 8.7696 9.2141 9.2141 9.2268 9.2268 9.7863 9.7863 9.8512 9.8512 9.9161 9.9161 10.2681 10.2682 k = 0.3333 0.5774 0.1477 ( 12483 PWs) bands (ev): -0.4682 -0.4682 -0.4642 -0.4642 -0.0645 -0.0645 0.6513 0.6513 1.2787 1.2787 1.2831 1.2831 4.7815 4.7815 5.0846 5.0846 5.1044 5.1044 5.2644 5.2644 5.2859 5.2859 5.9113 5.9113 6.2035 6.2035 6.2504 6.2504 6.2767 6.2767 6.5677 6.5677 6.7312 6.7312 6.7440 6.7440 7.4082 7.4082 7.4120 7.4120 7.4998 7.4998 7.5081 7.5081 7.6301 7.6301 7.8978 7.8978 7.9861 7.9861 8.0627 8.0627 8.0774 8.0774 8.1187 8.1187 8.3797 8.3797 8.6155 8.6155 8.6192 8.6192 8.7833 8.7833 9.2102 9.2102 9.2237 9.2237 9.7603 9.7603 9.8229 9.8229 9.9041 9.9041 10.2958 10.2966 k = 0.3333 0.5774 0.1724 ( 12480 PWs) bands (ev): -0.4527 -0.4527 -0.4487 -0.4487 -0.0541 -0.0541 0.6511 0.6511 1.2617 1.2617 1.2660 1.2660 4.7601 4.7601 5.0576 5.0576 5.0777 5.0777 5.2752 5.2752 5.2979 5.2979 5.8716 5.8716 6.2408 6.2408 6.2753 6.2753 6.3010 6.3010 6.6362 6.6362 6.7430 6.7430 6.7560 6.7560 7.3991 7.3991 7.4040 7.4040 7.4858 7.4858 7.4928 7.4928 7.6146 7.6146 7.8727 7.8727 7.9845 7.9845 8.0882 8.0882 8.1023 8.1023 8.1351 8.1351 8.3935 8.3935 8.6441 8.6441 8.6480 8.6480 8.7991 8.7991 9.2056 9.2056 9.2200 9.2200 9.7329 9.7329 9.7934 9.7934 9.8909 9.8909 10.3241 10.3246 k = 0.3333 0.5774 0.1970 ( 12492 PWs) bands (ev): -0.4349 -0.4349 -0.4309 -0.4309 -0.0421 -0.0421 0.6506 0.6506 1.2421 1.2421 1.2463 1.2463 4.7374 4.7374 5.0305 5.0305 5.0512 5.0512 5.2871 5.2871 5.3110 5.3110 5.8327 5.8327 6.2789 6.2789 6.2936 6.2936 6.3351 6.3351 6.7045 6.7045 6.7563 6.7563 6.7706 6.7706 7.3678 7.3678 7.3733 7.3733 7.4963 7.4963 7.5021 7.5021 7.5971 7.5971 7.8468 7.8468 7.9836 7.9836 8.1117 8.1117 8.1253 8.1253 8.1517 8.1517 8.4094 8.4094 8.6776 8.6776 8.6817 8.6817 8.8168 8.8168 9.2001 9.2001 9.2154 9.2154 9.7048 9.7048 9.7634 9.7634 9.8764 9.8764 10.3534 10.3540 k = 0.3333 0.5774 0.2216 ( 12501 PWs) bands (ev): -0.4148 -0.4148 -0.4108 -0.4108 -0.0287 -0.0287 0.6498 0.6498 1.2198 1.2198 1.2239 1.2239 4.7142 4.7142 5.0045 5.0045 5.0258 5.0258 5.2999 5.2999 5.3247 5.3247 5.7939 5.7939 6.3112 6.3112 6.3173 6.3173 6.3718 6.3718 6.7644 6.7644 6.7709 6.7709 6.7953 6.7953 7.3269 7.3269 7.3323 7.3323 7.5189 7.5189 7.5241 7.5241 7.5778 7.5778 7.8210 7.8210 7.9836 7.9836 8.1327 8.1327 8.1458 8.1458 8.1685 8.1685 8.4273 8.4273 8.7160 8.7160 8.7203 8.7203 8.8363 8.8363 9.1936 9.1936 9.2098 9.2098 9.6766 9.6766 9.7335 9.7335 9.8611 9.8611 10.3650 10.3650 k = 0.3333 0.5774 0.2462 ( 12513 PWs) bands (ev): -0.3925 -0.3925 -0.3885 -0.3885 -0.0138 -0.0138 0.6485 0.6485 1.1949 1.1949 1.1990 1.1990 4.6910 4.6910 4.9802 4.9802 5.0021 5.0021 5.3130 5.3130 5.3387 5.3387 5.7548 5.7548 6.3298 6.3298 6.3551 6.3551 6.4088 6.4088 6.7865 6.7865 6.7922 6.7922 6.8533 6.8533 7.2835 7.2835 7.2884 7.2884 7.5472 7.5472 7.5493 7.5493 7.5593 7.5593 7.7963 7.7963 7.9843 7.9843 8.1507 8.1507 8.1634 8.1634 8.1851 8.1851 8.4471 8.4471 8.7590 8.7590 8.7635 8.7635 8.8572 8.8572 9.1859 9.1859 9.2032 9.2032 9.6491 9.6491 9.7044 9.7044 9.8451 9.8451 10.3644 10.3644 k = 0.3333 0.5774 0.2708 ( 12489 PWs) bands (ev): -0.3680 -0.3680 -0.3639 -0.3639 0.0024 0.0024 0.6466 0.6466 1.1675 1.1675 1.1715 1.1715 4.6686 4.6686 4.9582 4.9582 4.9808 4.9808 5.3259 5.3259 5.3524 5.3524 5.7148 5.7148 6.3500 6.3500 6.3920 6.3920 6.4453 6.4453 6.8029 6.8029 6.8104 6.8104 6.9209 6.9209 7.2399 7.2399 7.2441 7.2441 7.5325 7.5325 7.5790 7.5790 7.5847 7.5847 7.7735 7.7735 7.9857 7.9857 8.1655 8.1655 8.1780 8.1780 8.2014 8.2014 8.4688 8.4688 8.8063 8.8063 8.8110 8.8110 8.8793 8.8793 9.1769 9.1769 9.1951 9.1951 9.6232 9.6232 9.6771 9.6771 9.8289 9.8289 10.3603 10.3603 k = 0.3333 0.5774 0.2955 ( 12483 PWs) bands (ev): -0.3413 -0.3413 -0.3373 -0.3373 0.0198 0.0198 0.6440 0.6440 1.1376 1.1376 1.1416 1.1416 4.6475 4.6475 4.9391 4.9391 4.9623 4.9623 5.3380 5.3380 5.3653 5.3653 5.6736 5.6736 6.3717 6.3717 6.4277 6.4277 6.4807 6.4807 6.8197 6.8197 6.8282 6.8282 6.9885 6.9885 7.1976 7.1976 7.2008 7.2008 7.5079 7.5079 7.6132 7.6132 7.6183 7.6183 7.7537 7.7537 7.9878 7.9878 8.1770 8.1770 8.1891 8.1891 8.2173 8.2173 8.4923 8.4923 8.8574 8.8574 8.8621 8.8621 8.9025 8.9025 9.1662 9.1662 9.1854 9.1854 9.6001 9.6001 9.6525 9.6525 9.8130 9.8130 10.3546 10.3546 k = 0.3333 0.5774 0.3201 ( 12489 PWs) bands (ev): -0.3126 -0.3126 -0.3085 -0.3085 0.0385 0.0385 0.6406 0.6406 1.1053 1.1053 1.1091 1.1091 4.6282 4.6282 4.9231 4.9231 4.9469 4.9469 5.3489 5.3489 5.3770 5.3770 5.6308 5.6308 6.3949 6.3949 6.4621 6.4621 6.5150 6.5150 6.8366 6.8366 6.8459 6.8459 7.0544 7.0544 7.1576 7.1576 7.1597 7.1597 7.4817 7.4817 7.6487 7.6487 7.6535 7.6535 7.7376 7.7376 7.9903 7.9903 8.1851 8.1851 8.1969 8.1969 8.2325 8.2325 8.5176 8.5176 8.9113 8.9113 8.9145 8.9145 8.9278 8.9278 9.1535 9.1535 9.1739 9.1739 9.5811 9.5811 9.6319 9.6319 9.7978 9.7978 10.3477 10.3477 k = 0.3333 0.5774 0.3447 ( 12474 PWs) bands (ev): -0.2818 -0.2818 -0.2777 -0.2777 0.0583 0.0583 0.6363 0.6363 1.0706 1.0706 1.0744 1.0744 4.6113 4.6113 4.9106 4.9106 4.9349 4.9349 5.3579 5.3579 5.3867 5.3867 5.5862 5.5862 6.4196 6.4196 6.4951 6.4951 6.5480 6.5480 6.8529 6.8529 6.8637 6.8637 7.1131 7.1131 7.1210 7.1210 7.1260 7.1260 7.4539 7.4539 7.6845 7.6845 7.6889 7.6889 7.7260 7.7260 7.9934 7.9934 8.1900 8.1900 8.2016 8.2016 8.2471 8.2471 8.5445 8.5445 8.9479 8.9479 8.9671 8.9671 8.9739 8.9739 9.1385 9.1385 9.1606 9.1606 9.5678 9.5678 9.6168 9.6168 9.7838 9.7838 10.3398 10.3398 k = 0.3333 0.5774 0.3693 ( 12465 PWs) bands (ev): -0.2490 -0.2490 -0.2449 -0.2449 0.0792 0.0792 0.6309 0.6309 1.0337 1.0337 1.0374 1.0374 4.5972 4.5972 4.9017 4.9017 4.9265 4.9265 5.3645 5.3645 5.3940 5.3940 5.5396 5.5396 6.4457 6.4457 6.5268 6.5268 6.5796 6.5796 6.8679 6.8679 6.8808 6.8808 7.0864 7.0864 7.0892 7.0892 7.1786 7.1786 7.4248 7.4248 7.7190 7.7190 7.7194 7.7194 7.7235 7.7235 7.9969 7.9969 8.1925 8.1925 8.2037 8.2037 8.2606 8.2606 8.5730 8.5730 8.9719 8.9719 9.0219 9.0219 9.0273 9.0273 9.1224 9.1224 9.1474 9.1474 9.5618 9.5618 9.6086 9.6086 9.7717 9.7717 10.3311 10.3311 k = 0.3333 0.5774 0.3940 ( 12459 PWs) bands (ev): -0.2143 -0.2143 -0.2103 -0.2103 0.1010 0.1010 0.6245 0.6245 0.9946 0.9946 0.9983 0.9983 4.5863 4.5863 4.8966 4.8966 4.9218 4.9218 5.3683 5.3683 5.3983 5.3983 5.4910 5.4910 6.4731 6.4731 6.5570 6.5570 6.6098 6.6098 6.8802 6.8802 6.8962 6.8962 7.0582 7.0582 7.0642 7.0642 7.2342 7.2342 7.3944 7.3944 7.7178 7.7178 7.7515 7.7515 7.7549 7.7549 8.0010 8.0010 8.1935 8.1935 8.2045 8.2045 8.2729 8.2729 8.6030 8.6030 8.9947 8.9947 9.0621 9.0621 9.0666 9.0666 9.1175 9.1175 9.1457 9.1457 9.5644 9.5644 9.6085 9.6085 9.7621 9.7621 10.3216 10.3216 k = 0.3333 0.5774 0.4186 ( 12477 PWs) bands (ev): -0.1778 -0.1778 -0.1737 -0.1737 0.1237 0.1237 0.6168 0.6168 0.9536 0.9536 0.9573 0.9573 4.5789 4.5789 4.8952 4.8952 4.9208 4.9208 5.3688 5.3688 5.3991 5.3991 5.4408 5.4408 6.5019 6.5019 6.5858 6.5858 6.6386 6.6386 6.8875 6.8875 6.9078 6.9078 7.0385 7.0385 7.0486 7.0486 7.2851 7.2851 7.3630 7.3630 7.7213 7.7213 7.7787 7.7787 7.7814 7.7814 8.0060 8.0060 8.1947 8.1947 8.2056 8.2056 8.2838 8.2838 8.6342 8.6342 9.0160 9.0160 9.0546 9.0546 9.0667 9.0667 9.1557 9.1557 9.1794 9.1794 9.5762 9.5762 9.6173 9.6173 9.7556 9.7556 10.3115 10.3115 k = 0.3333 0.5774 0.4432 ( 12486 PWs) bands (ev): -0.1395 -0.1395 -0.1355 -0.1355 0.1471 0.1471 0.6078 0.6078 0.9107 0.9107 0.9144 0.9144 4.5754 4.5754 4.8975 4.8975 4.9235 4.9235 5.3656 5.3656 5.3869 5.3869 5.3981 5.3981 6.5318 6.5318 6.6131 6.6131 6.6658 6.6658 6.8882 6.8882 6.9123 6.9123 7.0310 7.0310 7.0447 7.0447 7.3255 7.3255 7.3361 7.3361 7.7289 7.7289 7.7983 7.7983 7.8005 7.8005 8.0123 8.0123 8.1986 8.1986 8.2095 8.2095 8.2932 8.2932 8.6666 8.6666 9.0272 9.0272 9.0321 9.0321 9.0469 9.0469 9.2087 9.2087 9.2317 9.2317 9.5972 9.5972 9.6347 9.6347 9.7529 9.7529 10.3006 10.3006 k = 0.3333 0.5774 0.4678 ( 12504 PWs) bands (ev): -0.0995 -0.0995 -0.0955 -0.0955 0.1712 0.1712 0.5974 0.5974 0.8662 0.8662 0.8699 0.8699 4.5758 4.5758 4.9036 4.9036 4.9298 4.9298 5.3345 5.3345 5.3586 5.3586 5.3903 5.3903 6.5627 6.5627 6.6387 6.6387 6.6912 6.6912 6.8824 6.8824 6.9084 6.9084 7.0377 7.0377 7.0527 7.0527 7.2961 7.2961 7.3732 7.3732 7.7391 7.7391 7.8078 7.8078 7.8093 7.8093 8.0207 8.0207 8.2078 8.2078 8.2185 8.2185 8.3007 8.3007 8.6999 8.6999 8.9939 8.9939 9.0094 9.0094 9.0557 9.0557 9.2622 9.2622 9.2868 9.2868 9.6262 9.6262 9.6597 9.6597 9.7545 9.7545 10.2889 10.2889 k = 0.3333 0.5774 0.4924 ( 12480 PWs) bands (ev): -0.0580 -0.0580 -0.0540 -0.0540 0.1959 0.1959 0.5857 0.5857 0.8202 0.8202 0.8239 0.8239 4.5804 4.5804 4.9132 4.9132 4.9397 4.9397 5.2801 5.2801 5.3476 5.3476 5.3794 5.3794 6.5947 6.5947 6.6625 6.6625 6.7147 6.7147 6.8727 6.8727 6.8990 6.8990 7.0558 7.0558 7.0704 7.0704 7.2620 7.2620 7.4101 7.4101 7.7496 7.7496 7.8052 7.8052 7.8064 7.8064 8.0320 8.0320 8.2239 8.2239 8.2346 8.2346 8.3063 8.3063 8.7339 8.7339 8.9573 8.9573 8.9739 8.9739 9.0700 9.0700 9.3145 9.3145 9.3415 9.3415 9.6606 9.6606 9.6899 9.6899 9.7614 9.7614 10.2760 10.2760 k = 0.3333 0.5774 0.5171 ( 12510 PWs) bands (ev): -0.0149 -0.0149 -0.0109 -0.0109 0.2209 0.2209 0.5726 0.5726 0.7728 0.7728 0.7765 0.7765 4.5894 4.5894 4.9262 4.9262 4.9530 4.9530 5.2249 5.2249 5.3329 5.3329 5.3647 5.3647 6.6274 6.6274 6.6843 6.6843 6.7361 6.7361 6.8617 6.8617 6.8881 6.8881 7.0815 7.0815 7.0953 7.0953 7.2272 7.2272 7.4437 7.4437 7.7581 7.7581 7.7906 7.7906 7.7916 7.7916 8.0470 8.0470 8.2475 8.2475 8.2580 8.2580 8.3098 8.3098 8.7683 8.7683 8.9181 8.9181 8.9351 8.9351 9.0813 9.0813 9.3656 9.3656 9.3950 9.3950 9.6974 9.6974 9.7221 9.7221 9.7741 9.7741 10.2616 10.2616 k = 0.3333 0.5774 0.5417 ( 12498 PWs) bands (ev): 0.0295 0.0295 0.0335 0.0335 0.2463 0.2463 0.5580 0.5580 0.7244 0.7244 0.7281 0.7281 4.6027 4.6027 4.9424 4.9424 4.9694 4.9694 5.1696 5.1696 5.3145 5.3145 5.3462 5.3462 6.6607 6.6607 6.7041 6.7041 6.7556 6.7556 6.8509 6.8509 6.8776 6.8776 7.1119 7.1119 7.1258 7.1258 7.1927 7.1927 7.4749 7.4749 7.7626 7.7626 7.7653 7.7653 7.7660 7.7660 8.0660 8.0660 8.2777 8.2777 8.2879 8.2879 8.3110 8.3110 8.8029 8.8029 8.8770 8.8770 8.8942 8.8942 9.0890 9.0890 9.4159 9.4159 9.4474 9.4474 9.7328 9.7328 9.7525 9.7525 9.7933 9.7933 10.2449 10.2449 k = 0.3333 0.5774 0.5663 ( 12513 PWs) bands (ev): 0.0752 0.0752 0.0792 0.0792 0.2718 0.2718 0.5421 0.5421 0.6750 0.6750 0.6787 0.6787 4.6204 4.6204 4.9616 4.9616 4.9886 4.9886 5.1147 5.1147 5.2928 5.2928 5.3244 5.3244 6.6942 6.6942 6.7217 6.7217 6.7734 6.7734 6.8409 6.8409 6.8681 6.8681 7.1369 7.1369 7.1611 7.1611 7.1678 7.1678 7.5044 7.5044 7.7313 7.7313 7.7318 7.7318 7.7619 7.7619 8.0886 8.0886 8.3087 8.3087 8.3128 8.3128 8.3239 8.3239 8.8346 8.8346 8.8366 8.8366 8.8524 8.8524 9.0925 9.0925 9.4657 9.4657 9.4989 9.4989 9.7630 9.7630 9.7796 9.7796 9.8169 9.8169 10.2253 10.2253 k = 0.3333 0.5774 0.5909 ( 12519 PWs) bands (ev): 0.1221 0.1221 0.1261 0.1261 0.2973 0.2973 0.5248 0.5248 0.6249 0.6249 0.6286 0.6286 4.6424 4.6424 4.9835 4.9835 5.0097 5.0097 5.0614 5.0614 5.2684 5.2684 5.2998 5.2998 6.7271 6.7271 6.7374 6.7374 6.7904 6.7904 6.8318 6.8318 6.8598 6.8598 7.1131 7.1131 7.1953 7.1953 7.2005 7.2005 7.5329 7.5329 7.6906 7.6906 7.6910 7.6910 7.7559 7.7559 8.1139 8.1139 8.3048 8.3048 8.3515 8.3515 8.3624 8.3624 8.7913 8.7913 8.8073 8.8073 8.8720 8.8720 9.0915 9.0915 9.5150 9.5150 9.5494 9.5494 9.7850 9.7850 9.8031 9.8031 9.8418 9.8418 10.2018 10.2018 k = 0.3333 0.5774 0.6156 ( 12507 PWs) bands (ev): 0.1700 0.1700 0.1740 0.1740 0.3228 0.3228 0.5062 0.5062 0.5742 0.5742 0.5780 0.5780 4.6686 4.6686 5.0032 5.0032 5.0079 5.0079 5.0392 5.0392 5.2416 5.2416 5.2727 5.2727 6.7512 6.7512 6.7579 6.7579 6.8081 6.8081 6.8235 6.8235 6.8525 6.8525 7.0773 7.0773 7.2380 7.2380 7.2435 7.2435 7.5604 7.5604 7.6451 7.6451 7.6456 7.6456 7.7450 7.7450 8.1406 8.1406 8.2978 8.2978 8.3927 8.3927 8.4037 8.4037 8.7472 8.7472 8.7628 8.7628 8.9052 8.9052 9.0859 9.0859 9.5635 9.5635 9.5987 9.5987 9.7964 9.7964 9.8196 9.8196 9.8687 9.8687 10.1738 10.1738 k = 0.3333 0.5774 0.6402 ( 12522 PWs) bands (ev): 0.2189 0.2189 0.2228 0.2228 0.3480 0.3480 0.4864 0.4864 0.5231 0.5231 0.5270 0.5270 4.6989 4.6989 4.9534 4.9534 5.0343 5.0343 5.0638 5.0638 5.2130 5.2130 5.2438 5.2438 6.7633 6.7633 6.7831 6.7831 6.8157 6.8157 6.8298 6.8298 6.8462 6.8462 7.0404 7.0404 7.2846 7.2846 7.2896 7.2896 7.5823 7.5823 7.5962 7.5962 7.6019 7.6019 7.7300 7.7300 8.1674 8.1674 8.2877 8.2877 8.4354 8.4354 8.4468 8.4468 8.7027 8.7027 8.7177 8.7177 8.9371 8.9371 9.0758 9.0758 9.6107 9.6107 9.6463 9.6463 9.7964 9.7964 9.8239 9.8239 9.9010 9.9010 10.1411 10.1411 k = 0.3333 0.5774 0.6648 ( 12504 PWs) bands (ev): 0.2685 0.2685 0.2724 0.2724 0.3728 0.3728 0.4652 0.4652 0.4719 0.4719 0.4760 0.4760 4.7332 4.7332 4.9041 4.9041 5.0624 5.0624 5.0919 5.0919 5.1831 5.1831 5.2137 5.2137 6.7741 6.7741 6.8007 6.8007 6.8082 6.8082 6.8373 6.8373 6.8608 6.8608 7.0032 7.0032 7.3340 7.3340 7.3382 7.3382 7.5426 7.5426 7.5451 7.5451 7.6169 7.6169 7.7115 7.7115 8.1932 8.1932 8.2745 8.2745 8.4791 8.4791 8.4909 8.4909 8.6579 8.6579 8.6723 8.6723 8.9674 8.9674 9.0614 9.0614 9.6557 9.6557 9.6911 9.6911 9.7851 9.7851 9.8156 9.8156 9.9384 9.9384 10.1040 10.1040 k = 0.3333 0.5774 0.6894 ( 12516 PWs) bands (ev): 0.3188 0.3188 0.3226 0.3226 0.3971 0.3971 0.4206 0.4206 0.4243 0.4243 0.4438 0.4438 4.7711 4.7711 4.8569 4.8569 5.0918 5.0918 5.1215 5.1215 5.1527 5.1527 5.1829 5.1829 6.7837 6.7837 6.8005 6.8005 6.8131 6.8131 6.8305 6.8305 6.8938 6.8938 6.9661 6.9661 7.3852 7.3852 7.3887 7.3887 7.4905 7.4905 7.4930 7.4930 7.6423 7.6423 7.6903 7.6903 8.2173 8.2173 8.2583 8.2583 8.5234 8.5234 8.5358 8.5359 8.6130 8.6130 8.6267 8.6267 8.9954 8.9954 9.0429 9.0429 9.6972 9.6972 9.7321 9.7321 9.7636 9.7636 9.7962 9.7962 9.9792 9.9792 10.0637 10.0637 k = 0.3333 0.5774 0.7140 ( 12528 PWs) bands (ev): 0.3695 0.3695 0.3695 0.3695 0.3733 0.3733 0.3733 0.3733 0.4208 0.4208 0.4208 0.4208 4.8125 4.8125 4.8125 4.8125 5.1220 5.1220 5.1220 5.1220 5.1520 5.1520 5.1520 5.1520 6.7924 6.7924 6.7924 6.7924 6.8226 6.8226 6.8226 6.8226 6.9294 6.9294 6.9294 6.9294 7.4376 7.4376 7.4376 7.4376 7.4406 7.4406 7.4406 7.4406 7.6670 7.6670 7.6670 7.6670 8.2392 8.2392 8.2392 8.2392 8.5681 8.5681 8.5681 8.5681 8.5812 8.5812 8.5812 8.5812 9.0207 9.0207 9.0207 9.0207 9.7337 9.7337 9.7337 9.7337 9.7677 9.7677 9.7677 9.7677 10.0215 10.0215 10.0215 10.0215 Writing output data file Zr5Ge3.save init_run : 0.18s CPU 0.27s WALL ( 1 calls) electrons : 631.18s CPU 637.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 631.17s CPU 637.57s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.10s WALL ( 224 calls) cegterg : 564.49s CPU 569.76s WALL ( 521 calls) Called by sum_band: Called by *egterg: h_psi : 369.62s CPU 374.88s WALL ( 9043 calls) s_psi : 10.78s CPU 10.80s WALL ( 9043 calls) g_psi : 0.55s CPU 0.63s WALL ( 8298 calls) cdiaghg : 175.46s CPU 175.88s WALL ( 8522 calls) cegterg:over : 28.03s CPU 28.02s WALL ( 8298 calls) cegterg:upda : 18.97s CPU 19.10s WALL ( 8298 calls) cegterg:last : 12.14s CPU 12.16s WALL ( 1526 calls) cdiaghg:chol : 7.23s CPU 7.21s WALL ( 8522 calls) cdiaghg:inve : 5.23s CPU 5.15s WALL ( 8522 calls) cdiaghg:para : 10.76s CPU 10.61s WALL ( 17044 calls) Called by h_psi: h_psi:vloc : 329.24s CPU 334.36s WALL ( 9043 calls) h_psi:vnl : 39.52s CPU 39.70s WALL ( 9043 calls) add_vuspsi : 16.48s CPU 16.49s WALL ( 9043 calls) General routines calbec : 22.98s CPU 23.17s WALL ( 9043 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 318.51s CPU 323.68s WALL ( 1496656 calls) davcio : 0.16s CPU 0.24s WALL ( 448 calls) Parallel routines fft_scatter : 199.31s CPU 203.24s WALL ( 1496671 calls) PWSCF : 11m19.47s CPU 11m48.42s WALL This run was terminated on: 22:55:49 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=