Sender: LSF System Subject: Job 238521: Done Job was submitted from host by user . Job was executed on host(s) <12*sp5-5.frascati.enea.it>, in queue , as user . was used as the home directory. was used as the working directory. Started at Tue Aug 11 06:18:26 2009 Results reported at Tue Aug 11 06:49:03 2009 Your job looked like: ------------------------------------------------------------ # LSBATCH: User input /afs/enea.it/software/bin/poe.lsf ../../../bin/pw.x -procs 12 ------------------------------------------------------------ Successfully completed. Resource usage summary: CPU time : 19.66 sec. Max Memory : 10 MB Max Swap : 13 MB Max Processes : 4 Max Threads : 6 The output (if any) follows: sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it sp5-5.frascati.enea.it yes Program PWSCF v.4.1CVS starts ... Today is 11Aug2009 at 6:18:28 Parallel version (MPI) Number of processors in use: 12 R & G space division: proc/pool = 12 For Norm-Conserving or Ultrasoft (Vanderbilt) Pseudopotentials or PAW 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 Warning: card &IONS ignored Warning: card ION_DYNAMICS = 'BFGS' ignored Warning: card / ignored Subspace diagonalization in iterative solution of the eigenvalue problem: a parallel distributed memory algorithm will be used, eigenstates matrixes will be distributed block like on ortho sub-group = 3* 3 procs Planes per process (thick) : nr3 = 56 npp = 5 ncplane = 4480 Planes per process (smooth): nr3s= 36 npps= 3 ncplanes= 1728 Proc/ planes cols G planes cols G columns G Pool (dense grid) (smooth grid) (wavefct grid) 1 5 261 9231 3 105 2339 32 384 2 5 261 9231 3 105 2335 31 383 3 5 261 9231 3 105 2335 31 383 4 5 261 9231 3 105 2337 31 383 5 5 261 9231 3 105 2341 33 383 6 5 261 9231 3 105 2333 31 383 7 5 261 9231 3 105 2337 31 383 8 5 262 9232 3 105 2337 31 383 9 4 262 9232 3 105 2341 31 383 10 4 262 9232 3 104 2334 31 383 11 4 263 9231 3 104 2332 31 383 12 4 263 9231 3 104 2328 31 383 tot 56 3139 110775 36 1257 28029 375 4597 bravais-lattice index = 0 lattice parameter (a_0) = 14.6248 a.u. unit-cell volume = 1658.9051 (a.u.)^3 number of atoms/cell = 20 number of atomic types = 4 number of electrons = 176.00 number of Kohn-Sham states= 106 kinetic-energy cutoff = 25.0000 Ry charge density cutoff = 250.0000 Ry convergence threshold = 1.0E-05 mixing beta = 0.5000 number of iterations used = 8 plain mixing Exchange-correlation = SLA PW PBE PBE (1434) celldm(1)= 14.624766 celldm(2)= 0.000000 celldm(3)= 0.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of a_0) a(1) = ( 0.737270 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.719330 ) reciprocal axes: (cart. coord. in units 2 pi/a_0) b(1) = ( 1.356355 0.000000 0.000000 ) b(2) = ( 0.000000 1.000000 0.000000 ) b(3) = ( 0.000000 0.000000 1.390183 ) PseudoPot. # 1 for La read from file La.pbe-nsp-van.UPF Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated by new atomic code, or converted to UPF format Using radial grid of 907 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 6 coefficients, rinner = 1.200 1.200 1.200 1.200 1.200 PseudoPot. # 2 for Mn read from file Mn.pbe-sp-van.UPF Pseudo is Ultrasoft, Zval = 15.0 Generated by new atomic code, or converted to UPF format Using radial grid of 879 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 8 coefficients, rinner = 1.000 1.000 1.000 1.000 1.000 PseudoPot. # 3 for Mn read from file Mn.pbe-sp-van.UPF Pseudo is Ultrasoft, Zval = 15.0 Generated by new atomic code, or converted to UPF format Using radial grid of 879 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 2 l(6) = 2 Q(r) pseudized with 8 coefficients, rinner = 1.000 1.000 1.000 1.000 1.000 PseudoPot. # 4 for O read from file O.pbe-van_ak.UPF Pseudo is Ultrasoft, Zval = 6.0 Generated by new atomic code, or converted to UPF format Using radial grid of 737 points, 4 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 Q(r) pseudized with 8 coefficients, rinner = 0.800 0.800 0.800 atomic species valence mass pseudopotential La 11.00 138.90550 La( 1.00) Mn1 15.00 54.93805 Mn( 1.00) Mn2 15.00 54.93805 Mn( 1.00) O 6.00 15.99940 O ( 1.00) Starting magnetic structure atomic species magnetization La 0.000 Mn1 1.000 Mn2 -1.000 O 0.000 2 Sym.Ops. (no inversion) Cartesian axes site n. atom positions (a_0 units) 1 La tau( 1) = ( 0.0377001 0.2499993 0.7122528 ) 2 La tau( 2) = ( 0.3309439 0.7500007 0.3525902 ) 3 La tau( 3) = ( 0.6995801 0.7500007 0.0070734 ) 4 La tau( 4) = ( 0.4063338 0.2499993 0.3667444 ) 5 Mn1 tau( 5) = ( 0.0000032 -0.0000020 0.3596619 ) 6 Mn1 tau( 6) = ( 0.3686381 -0.0000007 0.0000017 ) 7 Mn2 tau( 7) = ( 0.0000039 0.4999999 0.3596619 ) 8 Mn2 tau( 8) = ( 0.3686388 0.4999999 0.0000017 ) 9 O tau( 9) = ( 0.3559827 0.2500047 0.0624633 ) 10 O tau( 10) = ( 0.0126619 0.7499951 0.4221218 ) 11 O tau( 11) = ( 0.3812968 0.7499951 0.6568702 ) 12 O tau( 12) = ( 0.7246150 0.2500047 0.2972055 ) 13 O tau( 13) = ( 0.2242949 0.0449937 0.5198800 ) 14 O tau( 14) = ( 0.1443502 0.9550077 0.1602102 ) 15 O tau( 15) = ( 0.5129769 0.5450021 0.1994552 ) 16 O tau( 16) = ( 0.5929358 0.4550002 0.5591204 ) 17 O tau( 17) = ( 0.5129838 0.9550051 0.1994521 ) 18 O tau( 18) = ( 0.5929285 0.0449924 0.5591173 ) 19 O tau( 19) = ( 0.2243021 0.4549989 0.5198768 ) 20 O tau( 20) = ( 0.1443433 0.5450008 0.1602071 ) number of k points= 60 gaussian broad. (Ry)= 0.0001 ngauss = 1 cart. coord. in units 2pi/a_0 k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0156250 k( 2) = ( 0.0000000 0.0000000 0.3475456), wk = 0.0312500 k( 3) = ( 0.0000000 0.0000000 -0.6950913), wk = 0.0156250 k( 4) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0312500 k( 5) = ( 0.0000000 0.2500000 0.3475456), wk = 0.0625000 k( 6) = ( 0.0000000 0.2500000 -0.6950913), wk = 0.0312500 k( 7) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0156250 k( 8) = ( 0.0000000 -0.5000000 0.3475456), wk = 0.0312500 k( 9) = ( 0.0000000 -0.5000000 -0.6950913), wk = 0.0156250 k( 10) = ( 0.3390888 0.0000000 0.0000000), wk = 0.0312500 k( 11) = ( 0.3390888 0.0000000 0.3475456), wk = 0.0625000 k( 12) = ( 0.3390888 0.0000000 -0.6950913), wk = 0.0312500 k( 13) = ( 0.3390888 0.2500000 0.0000000), wk = 0.0312500 k( 14) = ( 0.3390888 0.2500000 0.3475456), wk = 0.0625000 k( 15) = ( 0.3390888 0.2500000 -0.6950913), wk = 0.0312500 k( 16) = ( 0.3390888 -0.5000000 0.0000000), wk = 0.0312500 k( 17) = ( 0.3390888 -0.5000000 0.3475456), wk = 0.0625000 k( 18) = ( 0.3390888 -0.5000000 -0.6950913), wk = 0.0312500 k( 19) = ( -0.6781776 0.0000000 0.0000000), wk = 0.0156250 k( 20) = ( -0.6781776 0.0000000 0.3475456), wk = 0.0312500 k( 21) = ( -0.6781776 0.0000000 -0.6950913), wk = 0.0156250 k( 22) = ( -0.6781776 0.2500000 0.0000000), wk = 0.0312500 k( 23) = ( -0.6781776 0.2500000 0.3475456), wk = 0.0625000 k( 24) = ( -0.6781776 0.2500000 -0.6950913), wk = 0.0312500 k( 25) = ( -0.6781776 -0.5000000 0.0000000), wk = 0.0156250 k( 26) = ( -0.6781776 -0.5000000 0.3475456), wk = 0.0312500 k( 27) = ( -0.6781776 -0.5000000 -0.6950913), wk = 0.0156250 k( 28) = ( -0.3390888 0.2500000 0.0000000), wk = 0.0312500 k( 29) = ( -0.3390888 0.2500000 -0.3475456), wk = 0.0625000 k( 30) = ( -0.3390888 0.2500000 0.6950913), wk = 0.0312500 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0156250 k( 32) = ( 0.0000000 0.0000000 0.3475456), wk = 0.0312500 k( 33) = ( 0.0000000 0.0000000 -0.6950913), wk = 0.0156250 k( 34) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0312500 k( 35) = ( 0.0000000 0.2500000 0.3475456), wk = 0.0625000 k( 36) = ( 0.0000000 0.2500000 -0.6950913), wk = 0.0312500 k( 37) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0156250 k( 38) = ( 0.0000000 -0.5000000 0.3475456), wk = 0.0312500 k( 39) = ( 0.0000000 -0.5000000 -0.6950913), wk = 0.0156250 k( 40) = ( 0.3390888 0.0000000 0.0000000), wk = 0.0312500 k( 41) = ( 0.3390888 0.0000000 0.3475456), wk = 0.0625000 k( 42) = ( 0.3390888 0.0000000 -0.6950913), wk = 0.0312500 k( 43) = ( 0.3390888 0.2500000 0.0000000), wk = 0.0312500 k( 44) = ( 0.3390888 0.2500000 0.3475456), wk = 0.0625000 k( 45) = ( 0.3390888 0.2500000 -0.6950913), wk = 0.0312500 k( 46) = ( 0.3390888 -0.5000000 0.0000000), wk = 0.0312500 k( 47) = ( 0.3390888 -0.5000000 0.3475456), wk = 0.0625000 k( 48) = ( 0.3390888 -0.5000000 -0.6950913), wk = 0.0312500 k( 49) = ( -0.6781776 0.0000000 0.0000000), wk = 0.0156250 k( 50) = ( -0.6781776 0.0000000 0.3475456), wk = 0.0312500 k( 51) = ( -0.6781776 0.0000000 -0.6950913), wk = 0.0156250 k( 52) = ( -0.6781776 0.2500000 0.0000000), wk = 0.0312500 k( 53) = ( -0.6781776 0.2500000 0.3475456), wk = 0.0625000 k( 54) = ( -0.6781776 0.2500000 -0.6950913), wk = 0.0312500 k( 55) = ( -0.6781776 -0.5000000 0.0000000), wk = 0.0156250 k( 56) = ( -0.6781776 -0.5000000 0.3475456), wk = 0.0312500 k( 57) = ( -0.6781776 -0.5000000 -0.6950913), wk = 0.0156250 k( 58) = ( -0.3390888 0.2500000 0.0000000), wk = 0.0312500 k( 59) = ( -0.3390888 0.2500000 -0.3475456), wk = 0.0625000 k( 60) = ( -0.3390888 0.2500000 0.6950913), wk = 0.0312500 G cutoff = 1354.4349 ( 110775 G-vectors) FFT grid: ( 56, 80, 56) G cutoff = 541.7740 ( 28029 G-vectors) smooth grid: ( 36, 48, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.49 Mb ( 303, 106) NL pseudopotentials 1.11 Mb ( 303, 240) Each V/rho on FFT grid 0.68 Mb ( 22400, 2) Each G-vector array 0.07 Mb ( 9231) G-vector shells 0.03 Mb ( 4443) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.96 Mb ( 303, 424) Each subspace H/S matrix 2.74 Mb ( 424, 424) Each matrix 0.39 Mb ( 240, 106) Arrays for rho mixing 2.73 Mb ( 22400, 8) Check: negative/imaginary core charge= -0.000002 0.000000 Initial potential from superposition of free atoms starting charge 175.86972, renormalised to 176.00000 Starting wfc are 152 atomic wfcs total cpu time spent up to now is 53.99 secs per-process dynamical memory: 75.1 Mb Self-consistent Calculation iteration # 1 ecut= 25.00 Ry beta=0.50 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 2.0 total cpu time spent up to now is 161.71 secs total energy = -1612.92740950 Ry Harris-Foulkes estimate = -1599.77597453 Ry estimated scf accuracy < 15.35255338 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 19.68 Bohr mag/cell iteration # 2 ecut= 25.00 Ry beta=0.50 Davidson diagonalization with overlap ethr = 8.72E-03, avg # of iterations = 3.3 total cpu time spent up to now is 286.57 secs total energy = -1615.84232873 Ry Harris-Foulkes estimate = -1616.84859560 Ry estimated scf accuracy < 7.19041173 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 19.55 Bohr mag/cell iteration # 3 ecut= 25.00 Ry beta=0.50 Davidson diagonalization with overlap ethr = 4.09E-03, avg # of iterations = 2.7 total cpu time spent up to now is 427.37 secs total energy = -1618.20633624 Ry Harris-Foulkes estimate = -1617.40287781 Ry estimated scf accuracy < 2.45697083 Ry total magnetization = -0.00 Bohr mag/cell absolute magnetization = 17.65 Bohr mag/cell iteration # 4 ecut= 25.00 Ry beta=0.50 Davidson diagonalization with overlap ethr = 1.40E-03, avg # of iterations = 4.1 total cpu time spent up to now is 575.91 secs total energy = -1618.41443093 Ry Harris-Foulkes estimate = -1618.45035981 Ry estimated scf accuracy < 0.11614964 Ry total magnetization = -0.00 Bohr mag/cell absolute magnetization = 16.31 Bohr mag/cell iteration # 5 ecut= 25.00 Ry beta=0.50 Davidson diagonalization with overlap ethr = 6.60E-05, avg # of iterations = 2.6 total cpu time spent up to now is 703.66 secs total energy = -1618.43733333 Ry Harris-Foulkes estimate = -1618.44189724 Ry estimated scf accuracy < 0.01881240 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 16.04 Bohr mag/cell iteration # 6 ecut= 25.00 Ry beta=0.50 Davidson diagonalization with overlap ethr = 1.07E-05, avg # of iterations = 2.5 total cpu time spent up to now is 829.69 secs total energy = -1618.44175078 Ry Harris-Foulkes estimate = -1618.44243529 Ry estimated scf accuracy < 0.00589865 Ry total magnetization = -0.00 Bohr mag/cell absolute magnetization = 16.02 Bohr mag/cell iteration # 7 ecut= 25.00 Ry beta=0.50 Davidson diagonalization with overlap ethr = 3.35E-06, avg # of iterations = 2.5 total cpu time spent up to now is 929.54 secs total energy = -1618.44246478 Ry Harris-Foulkes estimate = -1618.44277781 Ry estimated scf accuracy < 0.00129994 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 15.98 Bohr mag/cell iteration # 8 ecut= 25.00 Ry beta=0.50 Davidson diagonalization with overlap ethr = 7.39E-07, avg # of iterations = 2.0 total cpu time spent up to now is 1026.45 secs total energy = -1618.44281073 Ry Harris-Foulkes estimate = -1618.44269019 Ry estimated scf accuracy < 0.00013486 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 15.96 Bohr mag/cell iteration # 9 ecut= 25.00 Ry beta=0.50 Davidson diagonalization with overlap ethr = 7.66E-08, avg # of iterations = 2.7 total cpu time spent up to now is 1160.68 secs total energy = -1618.44287445 Ry Harris-Foulkes estimate = -1618.44287446 Ry estimated scf accuracy < 0.00003415 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 15.94 Bohr mag/cell iteration # 10 ecut= 25.00 Ry beta=0.50 Davidson diagonalization with overlap ethr = 1.94E-08, avg # of iterations = 2.0 total cpu time spent up to now is 1251.30 secs total energy = -1618.44288381 Ry Harris-Foulkes estimate = -1618.44288281 Ry estimated scf accuracy < 0.00001362 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 15.93 Bohr mag/cell iteration # 11 ecut= 25.00 Ry beta=0.50 Davidson diagonalization with overlap ethr = 7.74E-09, avg # of iterations = 2.5 total cpu time spent up to now is 1383.29 secs End of self-consistent calculation ------ SPIN UP ------------ k = 0.0000 0.0000 0.0000 ( 3523 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8066 -37.8048 -37.7271 -37.7249 -37.6473 -37.6461 -33.7188 -33.7166 -33.4114 -33.4099 -32.9764 -32.9750 -19.2498 -19.1857 -19.1378 -19.0902 -6.5745 -6.1600 -6.0199 -6.0124 -5.9676 -5.7029 -5.3912 -5.3115 -5.2641 -5.1575 -5.1101 -5.0237 -2.9311 -2.8778 -2.8606 -2.8391 -2.6602 -2.5569 -2.4760 -2.2645 -2.2304 -1.8561 -1.6610 -1.5719 6.1791 6.5927 6.7195 7.0032 7.1368 7.5220 7.6559 7.8361 7.9068 7.9667 8.0415 8.1882 8.2374 8.4323 8.4577 8.6596 8.6887 8.8032 8.8569 8.8761 8.9214 9.0551 9.4910 9.5590 9.6883 9.8943 9.9303 10.0537 10.1158 10.2745 10.3055 10.3685 10.3776 10.8095 10.8199 10.8213 10.8925 10.9713 11.1066 11.1236 11.5070 11.7852 12.1683 12.6722 13.3891 14.0938 14.5323 14.5653 14.7935 14.8495 15.1868 15.1953 15.6466 16.0223 16.2097 16.7030 16.8744 16.8779 16.9179 17.0027 17.2488 17.5905 k = 0.0000 0.0000 0.3475 ( 3521 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8065 -37.8049 -37.7263 -37.7249 -37.6476 -37.6463 -33.7186 -33.7169 -33.4109 -33.4097 -32.9766 -32.9751 -19.2328 -19.1739 -19.1507 -19.1035 -6.4404 -6.4188 -6.2152 -5.9843 -5.7347 -5.6607 -5.6148 -5.4167 -5.2308 -5.1645 -5.0849 -5.0295 -2.9277 -2.8532 -2.8505 -2.7194 -2.5715 -2.3013 -2.2892 -2.2806 -2.2324 -1.8331 -1.7396 -1.6122 6.2872 6.6455 6.6880 7.1813 7.2732 7.4813 7.5246 7.7329 7.7561 7.8593 8.0495 8.1031 8.2624 8.2729 8.3122 8.3678 8.3684 8.5922 8.8423 8.9141 9.2030 9.2508 9.3069 9.4932 9.7088 9.8437 9.8604 9.8768 10.0212 10.2027 10.2289 10.3397 10.4706 10.4996 10.5950 10.6797 11.0448 11.1545 11.2209 11.5211 11.5312 11.7121 12.3945 12.7994 13.4195 14.2931 14.4925 14.6435 14.6964 14.9671 15.0684 15.1129 15.6308 16.1323 16.3473 16.7492 16.7830 16.9346 17.2512 17.3628 17.4193 17.6568 k = 0.0000 0.0000-0.6951 ( 3520 PWs) bands (ev): -69.0543 -69.0531 -64.5742 -64.5729 -37.8063 -37.8050 -37.7268 -37.7256 -37.6480 -37.6467 -33.7185 -33.7172 -33.4114 -33.4102 -32.9769 -32.9756 -19.1937 -19.1936 -19.1355 -19.1355 -6.4717 -6.4712 -6.0646 -6.0645 -5.8653 -5.8648 -5.4624 -5.4623 -5.2239 -5.2237 -5.0535 -5.0533 -2.8440 -2.8439 -2.7387 -2.7386 -2.4616 -2.4615 -2.0583 -2.0582 -1.9699 -1.9698 -1.7468 -1.7467 6.4842 6.4846 6.9099 6.9101 7.3874 7.3878 7.5819 7.5822 7.8865 7.8868 7.9857 7.9861 8.0841 8.0841 8.1908 8.1910 8.5277 8.5278 8.8347 8.8350 9.1090 9.1093 9.4642 9.4643 9.6370 9.6371 9.8908 9.8910 9.9687 9.9689 10.1488 10.1489 10.4714 10.4715 10.5537 10.5538 11.2979 11.2986 11.4372 11.4377 11.5515 11.5522 12.9133 12.9141 13.7301 13.7308 14.6896 14.6906 14.8766 14.8776 14.9485 14.9494 16.1691 16.1701 16.5492 16.5501 16.8837 16.8838 17.2747 17.2748 17.7519 17.7520 k = 0.0000 0.2500 0.0000 ( 3493 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8057 -37.8034 -37.7264 -37.7234 -37.6463 -37.6451 -33.7181 -33.7155 -33.4111 -33.4084 -32.9756 -32.9742 -19.2405 -19.1952 -19.1309 -19.0973 -6.4842 -6.1129 -6.0323 -6.0081 -6.0048 -5.8002 -5.4012 -5.3039 -5.2953 -5.1597 -5.1486 -4.9956 -2.9218 -2.8736 -2.8651 -2.8299 -2.6659 -2.5616 -2.3437 -2.2212 -2.1177 -1.9341 -1.7891 -1.6392 6.2844 6.6472 6.8783 7.1395 7.1750 7.4988 7.7212 7.8500 7.8741 8.0024 8.0093 8.1018 8.1879 8.3578 8.3880 8.5187 8.6841 8.7006 8.8057 8.8273 8.8696 9.2538 9.4403 9.5768 9.7436 9.8095 9.8821 9.9629 10.1788 10.2622 10.3486 10.3886 10.4397 10.6066 10.6603 10.7503 10.8090 11.0786 11.1700 11.2364 11.5929 11.7697 12.1850 12.8085 13.6887 14.0937 14.5066 14.5177 14.7948 14.8874 15.1571 15.1578 15.6442 15.9421 16.3248 16.6232 16.8051 17.1013 17.1674 17.1725 17.2556 17.4581 k = 0.0000 0.2500 0.3475 ( 3516 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8062 -37.8046 -37.7261 -37.7246 -37.6476 -37.6463 -33.7182 -33.7167 -33.4110 -33.4093 -32.9766 -32.9752 -19.2240 -19.1819 -19.1446 -19.1107 -6.3806 -6.3597 -6.2019 -6.0407 -5.7524 -5.7226 -5.5755 -5.5239 -5.2185 -5.1619 -5.0749 -5.0082 -2.9589 -2.8648 -2.8213 -2.8151 -2.4179 -2.3386 -2.2616 -2.2282 -2.1657 -1.8564 -1.8138 -1.6580 6.3898 6.7122 6.7670 7.1914 7.3660 7.4750 7.4872 7.6672 7.7935 7.9022 8.0220 8.0808 8.2271 8.2712 8.3049 8.4089 8.4366 8.5517 8.7091 8.9294 8.9822 9.1924 9.2870 9.4326 9.6553 9.7412 9.8006 10.0083 10.0629 10.1157 10.1711 10.3621 10.4498 10.5872 10.6153 10.7658 10.9941 11.1737 11.2785 11.5141 11.5945 11.6731 12.4083 12.9562 13.6783 14.2957 14.5145 14.6075 14.6404 14.9452 15.0442 15.0959 15.6267 16.0700 16.3960 16.7280 16.8773 16.9365 17.2321 17.3189 17.4373 17.5933 k = 0.0000 0.2500-0.6951 ( 3512 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8062 -37.8049 -37.7259 -37.7247 -37.6477 -37.6464 -33.7183 -33.7170 -33.4106 -33.4095 -32.9766 -32.9753 -19.1865 -19.1864 -19.1429 -19.1429 -6.4173 -6.4168 -6.1205 -6.1202 -5.8537 -5.8534 -5.4188 -5.4187 -5.3002 -5.3000 -5.0399 -5.0398 -2.8921 -2.8920 -2.6708 -2.6708 -2.5216 -2.5215 -2.0118 -2.0118 -1.9362 -1.9361 -1.7783 -1.7782 6.5535 6.5538 6.9095 6.9096 7.4529 7.4530 7.5862 7.5864 7.8011 7.8013 7.9950 7.9952 8.1436 8.1440 8.2253 8.2256 8.5056 8.5057 8.8544 8.8546 8.9345 8.9348 9.1701 9.1702 9.6357 9.6358 9.9478 9.9479 10.0755 10.0756 10.1825 10.1827 10.5079 10.5080 10.6454 10.6455 11.3288 11.3293 11.4173 11.4176 11.5088 11.5094 13.0477 13.0485 13.8342 13.8349 14.6519 14.6529 14.8526 14.8535 14.9091 14.9100 16.1561 16.1570 16.4436 16.4444 16.9545 16.9546 17.1565 17.1566 17.7355 17.7356 k = 0.0000-0.5000 0.0000 ( 3480 PWs) bands (ev): -69.0542 -69.0530 -64.5742 -64.5729 -37.8050 -37.8034 -37.7246 -37.7234 -37.6466 -37.6444 -33.7174 -33.7156 -33.4097 -33.4085 -32.9760 -32.9736 -19.2181 -19.2179 -19.1142 -19.1141 -6.3014 -6.2040 -5.9968 -5.9948 -5.9821 -5.9681 -5.4006 -5.3662 -5.2717 -5.2085 -5.0810 -5.0214 -2.8846 -2.8793 -2.8673 -2.8666 -2.5999 -2.5997 -2.1021 -2.0957 -2.0711 -2.0639 -1.8666 -1.8451 6.3804 6.7479 7.1147 7.2114 7.4259 7.4499 7.5513 7.7957 7.8799 7.9455 8.0985 8.1147 8.1701 8.1964 8.1996 8.3243 8.6538 8.7245 8.7280 8.8285 8.8427 9.3952 9.4888 9.6707 9.7401 9.7599 9.8219 10.0447 10.1101 10.1422 10.3029 10.4237 10.4285 10.5265 10.5267 10.6516 10.7723 11.1394 11.2822 11.3179 11.6508 11.7357 12.1972 12.9365 14.0462 14.0899 14.4049 14.4876 14.7886 14.9395 15.1119 15.1133 15.6301 15.8666 16.4854 16.6932 16.7317 17.0434 17.1600 17.4138 17.4837 17.6016 k = 0.0000-0.5000 0.3475 ( 3500 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8056 -37.8041 -37.7253 -37.7238 -37.6470 -37.6457 -33.7178 -33.7163 -33.4103 -33.4088 -32.9762 -32.9747 -19.2029 -19.2027 -19.1281 -19.1279 -6.2947 -6.2279 -6.1983 -6.1911 -5.7146 -5.7140 -5.6603 -5.6462 -5.1655 -5.1189 -5.0725 -5.0420 -2.9670 -2.9656 -2.7844 -2.7843 -2.3215 -2.3176 -2.2543 -2.2535 -1.9892 -1.9802 -1.7912 -1.7812 6.4854 6.7603 7.0204 7.1815 7.2507 7.3941 7.6116 7.7116 7.7912 7.9005 8.0386 8.0693 8.0929 8.2448 8.3046 8.4580 8.5028 8.5646 8.6010 8.7801 9.0230 9.0693 9.2217 9.4328 9.4663 9.6070 9.8290 9.9850 10.1032 10.1492 10.3239 10.3480 10.5236 10.5389 10.6646 10.6827 10.9791 11.2515 11.3182 11.5268 11.6311 11.6359 12.4191 13.0972 13.9717 14.3113 14.5254 14.5622 14.5836 14.9205 15.0294 15.0711 15.6224 16.0040 16.4191 16.7708 16.9847 17.0680 17.1243 17.2495 17.4135 17.4438 k = 0.0000-0.5000-0.6951 ( 3496 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8058 -37.8045 -37.7252 -37.7240 -37.6473 -37.6461 -33.7180 -33.7167 -33.4102 -33.4090 -32.9763 -32.9751 -19.1749 -19.1749 -19.1546 -19.1545 -6.3027 -6.3024 -6.2427 -6.2423 -5.8329 -5.8329 -5.3864 -5.3861 -5.3348 -5.3346 -5.0623 -5.0621 -2.8953 -2.8952 -2.6188 -2.6187 -2.6061 -2.6060 -1.9422 -1.9421 -1.9099 -1.9098 -1.8277 -1.8276 6.6587 6.6588 6.8427 6.8427 7.4808 7.4814 7.7038 7.7040 7.8749 7.8753 7.9605 7.9606 8.1732 8.1736 8.2193 8.2195 8.4146 8.4147 8.6415 8.6417 8.9195 8.9197 9.0027 9.0028 9.6515 9.6515 9.9010 9.9011 10.2067 10.2068 10.2872 10.2872 10.4964 10.4966 10.7287 10.7288 11.3546 11.3552 11.3893 11.3900 11.4738 11.4745 13.1404 13.1411 13.9854 13.9862 14.6074 14.6083 14.8280 14.8290 14.8646 14.8656 16.1441 16.1450 16.3475 16.3483 16.9323 16.9324 17.1856 17.1857 17.6542 17.6543 k = 0.3391 0.0000 0.0000 ( 3509 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8055 -37.8042 -37.7264 -37.7250 -37.6467 -37.6453 -33.7177 -33.7164 -33.4110 -33.4098 -32.9759 -32.9744 -19.2328 -19.1718 -19.1535 -19.1043 -6.4387 -6.2133 -6.1754 -5.9589 -5.8109 -5.6267 -5.5658 -5.5068 -5.3072 -5.2533 -5.2259 -4.9846 -2.8459 -2.7630 -2.7352 -2.6355 -2.5263 -2.4801 -2.4017 -2.2634 -2.2292 -1.9108 -1.7859 -1.6635 6.3950 6.7078 6.7333 7.2350 7.2366 7.5997 7.6718 7.7636 7.8161 7.9140 7.9748 8.0597 8.1216 8.1493 8.1991 8.4209 8.5889 8.7026 8.7758 9.0274 9.1568 9.1885 9.4725 9.5055 9.6071 9.8315 9.8453 9.9365 10.0339 10.1421 10.1433 10.1994 10.2812 10.4236 10.6501 10.8106 11.0389 11.0886 11.3088 11.4542 11.5415 11.6963 12.3336 12.7959 13.4136 14.3412 14.4334 14.6262 14.6303 14.9932 15.0612 15.1056 15.6247 16.1432 16.4716 16.7344 16.7439 16.9160 17.3373 17.3933 17.4121 17.7475 k = 0.3391 0.0000 0.3475 ( 3503 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8058 -37.8040 -37.7261 -37.7246 -37.6468 -37.6455 -33.7179 -33.7162 -33.4108 -33.4095 -32.9760 -32.9745 -19.2202 -19.1678 -19.1575 -19.1135 -6.5326 -6.3975 -6.2948 -5.9633 -5.7547 -5.6450 -5.5555 -5.3798 -5.3332 -5.2154 -5.0681 -5.0457 -2.8288 -2.8203 -2.8029 -2.6052 -2.5229 -2.3484 -2.2931 -2.1964 -2.1504 -1.8436 -1.8344 -1.5942 6.3917 6.6456 6.7665 7.1637 7.3660 7.4295 7.5011 7.5954 7.7286 7.8069 7.9853 8.0134 8.0711 8.1763 8.3110 8.4417 8.5338 8.6254 8.8717 8.9990 9.0240 9.2190 9.3000 9.3701 9.5911 9.7066 9.8475 9.9454 10.0026 10.0866 10.2298 10.3216 10.4096 10.5039 10.5723 10.6904 10.9206 11.2139 11.3066 11.3687 11.5228 11.7176 12.3594 12.8927 13.4969 14.1968 14.5015 14.6088 14.8481 14.9185 14.9533 15.1355 15.6547 16.2590 16.5028 16.5951 16.8631 17.1032 17.5244 17.5773 17.6732 17.8250 k = 0.3391 0.0000-0.6951 ( 3496 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8055 -37.8043 -37.7260 -37.7248 -37.6466 -37.6454 -33.7178 -33.7165 -33.4107 -33.4096 -32.9758 -32.9746 -19.1917 -19.1916 -19.1363 -19.1362 -6.6258 -6.6254 -5.9868 -5.9866 -5.9508 -5.9506 -5.2949 -5.2947 -5.2021 -5.2020 -5.0960 -5.0958 -2.7325 -2.7324 -2.7216 -2.7215 -2.6024 -2.6023 -2.0252 -2.0251 -1.9925 -1.9923 -1.6371 -1.6370 6.4858 6.4861 6.8785 6.8787 7.1535 7.1537 7.5825 7.5826 7.8662 7.8663 7.9868 7.9870 8.0698 8.0702 8.3334 8.3336 8.6166 8.6167 8.8430 8.8431 9.1281 9.1283 9.2230 9.2232 9.6891 9.6892 9.8936 9.8937 9.9871 9.9873 10.2010 10.2011 10.4404 10.4406 10.5828 10.5829 11.1340 11.1345 11.4251 11.4254 11.6062 11.6066 12.5859 12.5863 13.8458 13.8463 14.6665 14.6668 14.8934 14.8941 15.0373 15.0376 15.8336 15.8340 16.8831 16.8835 17.0124 17.0124 17.5668 17.5669 17.7486 17.7488 k = 0.3391 0.2500 0.0000 ( 3507 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8059 -37.8046 -37.7255 -37.7243 -37.6470 -37.6453 -33.7180 -33.7163 -33.4104 -33.4092 -32.9766 -32.9743 -19.2239 -19.1808 -19.1464 -19.1116 -6.3669 -6.1688 -6.1610 -5.9404 -5.9064 -5.7256 -5.4947 -5.4642 -5.3356 -5.2710 -5.2533 -5.0386 -2.8348 -2.7674 -2.6780 -2.6565 -2.5510 -2.4123 -2.3645 -2.2005 -2.1569 -1.9660 -1.8768 -1.7351 6.5033 6.7865 6.8418 7.2233 7.3362 7.5323 7.6179 7.7532 7.8231 7.8929 7.8934 8.0630 8.0948 8.2576 8.3563 8.4893 8.4897 8.5639 8.7711 8.8513 8.9489 9.0183 9.5551 9.6834 9.7396 9.8544 9.9043 9.9387 9.9519 9.9787 10.0842 10.1650 10.3619 10.3656 10.6072 10.6994 11.1240 11.1246 11.3085 11.4639 11.6042 11.6458 12.3472 12.9648 13.6707 14.3637 14.4424 14.5984 14.6047 14.9721 15.0207 15.0701 15.6071 16.0602 16.5230 16.5581 16.9910 16.9981 17.2949 17.3710 17.5030 17.8283 k = 0.3391 0.2500 0.3475 ( 3500 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8060 -37.8041 -37.7258 -37.7245 -37.6463 -37.6456 -33.7180 -33.7160 -33.4106 -33.4094 -32.9760 -32.9747 -19.2118 -19.1718 -19.1549 -19.1209 -6.4722 -6.3675 -6.2428 -6.0771 -5.7691 -5.6353 -5.5934 -5.4430 -5.2871 -5.1910 -5.0803 -5.0534 -2.8740 -2.8209 -2.7666 -2.6754 -2.4365 -2.3233 -2.2222 -2.1963 -2.1010 -1.9379 -1.8260 -1.6486 6.4805 6.7414 6.8182 7.2185 7.3646 7.4846 7.5094 7.5946 7.6574 7.8351 7.9554 7.9797 8.0749 8.1397 8.4188 8.4452 8.5348 8.6183 8.7276 8.9022 8.9097 9.0604 9.3406 9.4085 9.5330 9.7352 9.7739 9.9358 9.9561 10.0948 10.2311 10.3046 10.4175 10.4800 10.5798 10.6794 11.0909 11.2450 11.3290 11.3775 11.4797 11.6790 12.3905 13.0549 13.7025 14.2807 14.5069 14.5640 14.8053 14.8747 14.9416 15.1148 15.6406 16.2060 16.3729 16.7275 16.9746 17.0420 17.4376 17.5417 17.6372 17.8149 k = 0.3391 0.2500-0.6951 ( 3502 PWs) bands (ev): -69.0543 -69.0531 -64.5742 -64.5729 -37.8060 -37.8047 -37.7260 -37.7249 -37.6469 -37.6456 -33.7180 -33.7167 -33.4108 -33.4096 -32.9762 -32.9749 -19.1843 -19.1842 -19.1438 -19.1438 -6.5638 -6.5635 -6.1481 -6.1478 -5.8475 -5.8475 -5.2992 -5.2990 -5.1854 -5.1854 -5.1186 -5.1185 -2.7862 -2.7861 -2.6794 -2.6793 -2.5942 -2.5942 -2.0564 -2.0563 -1.9284 -1.9283 -1.6660 -1.6659 6.5414 6.5415 6.9346 6.9348 7.2719 7.2721 7.5125 7.5127 7.8433 7.8435 7.9470 7.9471 8.1093 8.1097 8.3889 8.3889 8.5082 8.5084 8.7907 8.7908 8.9071 8.9072 9.3362 9.3362 9.6258 9.6259 9.8585 9.8585 10.0199 10.0200 10.1889 10.1891 10.4049 10.4050 10.6803 10.6804 11.1629 11.1633 11.4570 11.4572 11.5715 11.5720 12.6605 12.6610 14.0190 14.0194 14.6215 14.6218 14.8828 14.8836 14.9899 14.9902 15.8131 15.8134 16.7682 16.7685 17.0022 17.0023 17.4949 17.4949 17.8207 17.8207 k = 0.3391-0.5000 0.0000 ( 3526 PWs) bands (ev): -69.0543 -69.0531 -64.5742 -64.5729 -37.8065 -37.8051 -37.7263 -37.7250 -37.6483 -37.6465 -33.7185 -33.7170 -33.4111 -33.4097 -32.9772 -32.9753 -19.2026 -19.2024 -19.1291 -19.1289 -6.2529 -6.1629 -6.0704 -6.0343 -5.9009 -5.8698 -5.4529 -5.4363 -5.3578 -5.2883 -5.2004 -5.1567 -2.7626 -2.7581 -2.7164 -2.7107 -2.4789 -2.4773 -2.1096 -2.1075 -2.0914 -2.0817 -1.9409 -1.9265 6.6023 6.8782 7.1192 7.2086 7.3508 7.3855 7.5165 7.7634 7.8230 7.9174 7.9529 8.0200 8.0916 8.2508 8.3340 8.3489 8.5534 8.5598 8.7336 8.7470 8.8680 9.0062 9.3792 9.6573 9.6986 9.9018 9.9335 9.9413 9.9988 10.0253 10.0793 10.2641 10.3202 10.4429 10.4912 10.5200 11.1004 11.2539 11.2839 11.4658 11.6370 11.6447 12.3409 13.0616 13.9734 14.3425 14.5014 14.5079 14.5803 14.9525 15.0037 15.0458 15.5926 15.9865 16.4453 16.7793 17.0048 17.1674 17.1901 17.2609 17.6488 17.7430 k = 0.3391-0.5000 0.3475 ( 3500 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8060 -37.8037 -37.7257 -37.7243 -37.6466 -37.6456 -33.7181 -33.7161 -33.4106 -33.4091 -32.9758 -32.9747 -19.1915 -19.1913 -19.1386 -19.1383 -6.3345 -6.2896 -6.2852 -6.2170 -5.7257 -5.6997 -5.5823 -5.5473 -5.2018 -5.1714 -5.1083 -5.0759 -2.8790 -2.8743 -2.7105 -2.7062 -2.3543 -2.3486 -2.1587 -2.1427 -2.0501 -2.0401 -1.7786 -1.7738 6.5655 6.8764 6.9678 7.1461 7.3681 7.3905 7.5804 7.5888 7.7478 7.8652 7.9416 7.9837 8.0522 8.1406 8.2868 8.4470 8.4910 8.6010 8.6635 8.8311 8.8898 9.0105 9.2664 9.2925 9.6036 9.7074 9.7806 9.9155 9.9889 10.0865 10.2196 10.2354 10.3713 10.4085 10.6930 10.7134 11.1357 11.2957 11.3320 11.3668 11.5354 11.6606 12.4008 13.1584 13.9233 14.4286 14.4921 14.5350 14.7151 14.8545 14.9176 15.0825 15.6258 16.1639 16.2921 16.8720 17.0174 17.1091 17.2982 17.4204 17.6481 17.7238 k = 0.3391-0.5000-0.6951 ( 3500 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8061 -37.8048 -37.7252 -37.7241 -37.6471 -37.6458 -33.7182 -33.7169 -33.4102 -33.4090 -32.9762 -32.9749 -19.1714 -19.1713 -19.1570 -19.1569 -6.4091 -6.4087 -6.3606 -6.3602 -5.7670 -5.7670 -5.3203 -5.3202 -5.2001 -5.1999 -5.1129 -5.1127 -2.7808 -2.7808 -2.6973 -2.6972 -2.5870 -2.5870 -2.0715 -2.0714 -1.8635 -1.8634 -1.7089 -1.7088 6.6358 6.6359 6.9208 6.9209 7.4010 7.4015 7.5670 7.5672 7.8024 7.8026 7.9429 7.9430 8.0915 8.0916 8.2534 8.2535 8.4155 8.4157 8.8333 8.8334 8.9172 8.9174 9.1547 9.1547 9.6152 9.6152 9.8838 9.8839 9.9794 9.9795 10.2492 10.2493 10.4049 10.4050 10.7124 10.7124 11.2762 11.2766 11.4077 11.4080 11.5490 11.5495 12.7302 12.7306 14.2252 14.2257 14.5812 14.5815 14.8498 14.8508 14.9336 14.9339 15.7790 15.7792 16.6742 16.6745 17.0124 17.0124 17.5684 17.5684 17.7047 17.7047 k =-0.6782 0.0000 0.0000 ( 3526 PWs) bands (ev): -69.0542 -69.0530 -64.5742 -64.5730 -37.8061 -37.8048 -37.7266 -37.7255 -37.6465 -37.6453 -33.7180 -33.7167 -33.4112 -33.4100 -32.9757 -32.9745 -19.1925 -19.1925 -19.1381 -19.1381 -6.2704 -6.2701 -6.0536 -6.0534 -5.7752 -5.7747 -5.5844 -5.5841 -5.4239 -5.4236 -5.1017 -5.1014 -2.6683 -2.6682 -2.6148 -2.6148 -2.3545 -2.3545 -2.2141 -2.2140 -2.1087 -2.1086 -1.8972 -1.8972 6.6507 6.6512 7.1209 7.1211 7.5154 7.5157 7.7507 7.7512 7.8132 7.8135 7.8794 7.8796 7.9670 7.9671 8.3003 8.3006 8.4987 8.4989 8.9023 8.9025 9.1238 9.1240 9.3272 9.3275 9.5037 9.5038 9.9009 9.9010 10.0509 10.0511 10.1262 10.1265 10.1680 10.1682 10.7462 10.7463 11.2535 11.2543 11.4636 11.4642 11.4962 11.4968 12.8616 12.8624 13.6136 13.6144 14.7389 14.7399 14.8504 14.8514 14.9425 14.9435 16.0710 16.0719 16.5227 16.5236 17.0590 17.0590 17.6501 17.6501 17.7449 17.7449 k =-0.6782 0.0000 0.3475 ( 3484 PWs) bands (ev): -69.0542 -69.0530 -64.5742 -64.5730 -37.8048 -37.8035 -37.7252 -37.7240 -37.6461 -37.6449 -33.7171 -33.7158 -33.4102 -33.4090 -32.9754 -32.9742 -19.1911 -19.1910 -19.1376 -19.1376 -6.5658 -6.5654 -5.9690 -5.9688 -5.9140 -5.9136 -5.3459 -5.3458 -5.2419 -5.2416 -5.1535 -5.1533 -2.7118 -2.7118 -2.6249 -2.6248 -2.5272 -2.5272 -2.1050 -2.1050 -2.0674 -2.0673 -1.6959 -1.6959 6.5737 6.5740 6.9822 6.9823 7.1804 7.1805 7.6568 7.6570 7.8651 7.8653 7.9446 7.9448 8.0836 8.0838 8.4387 8.4388 8.5386 8.5387 8.8810 8.8811 9.0579 9.0580 9.1533 9.1535 9.5628 9.5628 9.8538 9.8539 10.1289 10.1290 10.2501 10.2503 10.3595 10.3598 10.5685 10.5687 11.1062 11.1066 11.3702 11.3705 11.6622 11.6623 12.5622 12.5627 13.8013 13.8018 14.6592 14.6595 14.9215 14.9223 15.0361 15.0363 15.8063 15.8067 16.8700 16.8704 17.0573 17.0574 17.7202 17.7202 17.7840 17.7841 k =-0.6782 0.0000-0.6951 ( 3492 PWs) bands (ev): -69.0543 -69.0531 -64.5742 -64.5730 -37.8058 -37.8045 -37.7266 -37.7255 -37.6463 -37.6450 -33.7180 -33.7167 -33.4113 -33.4101 -32.9756 -32.9744 -19.1896 -19.1896 -19.1371 -19.1371 -6.7433 -6.7429 -6.0612 -6.0608 -5.8119 -5.8119 -5.4411 -5.4409 -5.0688 -5.0687 -5.0353 -5.0350 -2.7534 -2.7533 -2.7040 -2.7038 -2.5846 -2.5845 -2.0972 -2.0972 -1.9066 -1.9065 -1.5660 -1.5659 6.4755 6.4756 6.8337 6.8337 7.0040 7.0040 7.6135 7.6137 7.8280 7.8284 7.8719 7.8721 8.1835 8.1841 8.4710 8.4711 8.4746 8.4747 9.0100 9.0100 9.1103 9.1104 9.2240 9.2243 9.3506 9.3510 9.8054 9.8054 10.2552 10.2553 10.3931 10.3933 10.4693 10.4694 10.5715 10.5717 10.9277 10.9280 11.2247 11.2251 11.6687 11.6691 12.3984 12.3987 13.8820 13.8825 14.6270 14.6271 14.9148 14.9156 15.0906 15.0908 15.7058 15.7061 17.0597 17.0598 17.0950 17.0955 17.8846 17.8848 17.8968 17.8969 k =-0.6782 0.2500 0.0000 ( 3520 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5730 -37.8060 -37.8047 -37.7263 -37.7251 -37.6469 -37.6456 -33.7180 -33.7167 -33.4110 -33.4098 -32.9760 -32.9747 -19.1846 -19.1846 -19.1461 -19.1461 -6.2363 -6.2272 -6.0649 -6.0542 -5.7558 -5.7412 -5.5707 -5.5231 -5.4959 -5.4679 -5.1746 -5.1697 -2.6985 -2.6958 -2.4743 -2.4557 -2.4095 -2.4066 -2.2003 -2.1975 -2.1057 -2.0891 -1.9633 -1.9613 6.7574 6.7696 7.0932 7.0965 7.4088 7.5168 7.6680 7.7081 7.8330 7.8475 7.9535 7.9626 7.9975 8.1416 8.3370 8.3515 8.4818 8.4830 8.7169 8.7745 8.9884 9.0125 9.1268 9.1463 9.7090 9.7209 9.9031 9.9062 9.9900 10.0416 10.0826 10.1602 10.2177 10.3482 10.6445 10.6841 11.1982 11.3245 11.3885 11.4705 11.5292 11.5302 12.9344 12.9565 13.7504 13.7587 14.7057 14.7171 14.8228 14.8302 14.9010 14.9244 16.0631 16.0805 16.3914 16.4090 17.1498 17.1729 17.6077 17.6159 17.6766 17.7455 k =-0.6782 0.2500 0.3475 ( 3496 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5730 -37.8053 -37.8043 -37.7262 -37.7246 -37.6461 -37.6449 -33.7177 -33.7162 -33.4105 -33.4097 -32.9755 -32.9741 -19.1833 -19.1833 -19.1455 -19.1455 -6.5075 -6.5025 -6.1313 -6.1077 -5.8043 -5.7685 -5.4148 -5.3765 -5.2618 -5.2091 -5.1787 -5.1450 -2.7353 -2.7317 -2.6407 -2.6356 -2.4382 -2.4309 -2.1829 -2.1733 -2.0002 -1.9916 -1.7458 -1.7437 6.6549 6.6759 6.9695 7.0272 7.2758 7.3078 7.4740 7.6432 7.8652 7.8941 7.9163 7.9986 8.0604 8.2108 8.2682 8.3973 8.4270 8.5475 8.6977 8.8059 8.8975 9.1323 9.3477 9.4321 9.4744 9.5453 9.7000 9.8012 9.9583 10.0769 10.1935 10.2646 10.3733 10.3951 10.5210 10.6228 11.1302 11.2806 11.3546 11.3995 11.5806 11.6683 12.6209 12.6343 13.9677 13.9861 14.6194 14.6373 14.8724 14.9001 14.9949 15.0139 15.7738 15.7938 16.7153 16.7802 17.1594 17.1925 17.7080 17.7443 17.7919 17.7977 k =-0.6782 0.2500-0.6951 ( 3488 PWs) bands (ev): -69.0543 -69.0531 -64.5742 -64.5730 -37.8054 -37.8041 -37.7259 -37.7247 -37.6462 -37.6450 -33.7177 -33.7164 -33.4107 -33.4095 -32.9756 -32.9743 -19.1820 -19.1820 -19.1449 -19.1448 -6.6740 -6.6736 -6.2162 -6.2159 -5.7334 -5.7333 -5.4045 -5.4044 -5.1052 -5.1051 -5.0354 -5.0351 -2.7489 -2.7488 -2.7173 -2.7172 -2.5246 -2.5245 -2.1799 -2.1799 -1.8414 -1.8412 -1.6033 -1.6032 6.5485 6.5485 6.9168 6.9170 7.1145 7.1146 7.5196 7.5199 7.8431 7.8434 7.9148 7.9150 8.2018 8.2022 8.3059 8.3060 8.4199 8.4201 8.8021 8.8021 9.1156 9.1157 9.2421 9.2424 9.6539 9.6540 9.7399 9.7400 10.1514 10.1514 10.1729 10.1730 10.4134 10.4135 10.5997 10.5998 11.1163 11.1164 11.2607 11.2610 11.6559 11.6563 12.4436 12.4438 14.0913 14.0918 14.5942 14.5944 14.8826 14.8834 15.0528 15.0530 15.6797 15.6800 16.9515 16.9518 17.2189 17.2190 17.7890 17.7891 17.9158 17.9158 k =-0.6782-0.5000 0.0000 ( 3504 PWs) bands (ev): -69.0542 -69.0530 -64.5742 -64.5730 -37.8054 -37.8041 -37.7258 -37.7247 -37.6464 -37.6451 -33.7175 -33.7162 -33.4106 -33.4095 -32.9756 -32.9744 -19.1656 -19.1656 -19.1653 -19.1653 -6.1661 -6.1658 -6.0992 -6.0989 -5.6696 -5.6694 -5.6335 -5.6333 -5.3872 -5.3870 -5.3187 -5.3185 -2.5975 -2.5975 -2.5855 -2.5855 -2.2368 -2.2367 -2.2229 -2.2228 -2.0858 -2.0858 -2.0713 -2.0713 6.9253 6.9256 7.0316 7.0317 7.3578 7.3584 7.7542 7.7546 7.8889 7.8889 7.9500 7.9504 8.2590 8.2594 8.3669 8.3669 8.4332 8.4335 8.5959 8.5961 8.7481 8.7484 9.0681 9.0684 9.8999 9.9000 9.9656 9.9657 10.0062 10.0064 10.0685 10.0688 10.4375 10.4376 10.4823 10.4824 11.3005 11.3013 11.3962 11.3970 11.5522 11.5529 12.9976 12.9983 13.9237 13.9245 14.6835 14.6845 14.7870 14.7880 14.8945 14.8955 16.0706 16.0715 16.2901 16.2910 17.4078 17.4078 17.4498 17.4499 17.6396 17.6396 k =-0.6782-0.5000 0.3475 ( 3496 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5730 -37.8054 -37.8041 -37.7252 -37.7241 -37.6465 -37.6452 -33.7176 -33.7163 -33.4102 -33.4090 -32.9757 -32.9745 -19.1646 -19.1646 -19.1643 -19.1643 -6.3605 -6.3601 -6.3129 -6.3125 -5.6200 -5.6199 -5.5375 -5.5374 -5.2326 -5.2324 -5.1565 -5.1563 -2.6969 -2.6968 -2.6879 -2.6879 -2.3047 -2.3046 -2.2950 -2.2950 -1.8680 -1.8680 -1.8642 -1.8641 6.7524 6.7524 7.0546 7.0548 7.3596 7.3601 7.5952 7.5954 7.8184 7.8186 7.8877 7.8878 8.1258 8.1260 8.2287 8.2289 8.4381 8.4383 8.8622 8.8623 9.0323 9.0324 9.2190 9.2191 9.5685 9.5686 9.6889 9.6890 9.9996 9.9998 10.1342 10.1344 10.4947 10.4949 10.5629 10.5630 11.2617 11.2624 11.4076 11.4078 11.5859 11.5860 12.6744 12.6748 14.1959 14.1964 14.5823 14.5826 14.8353 14.8362 14.9830 14.9833 15.7518 15.7521 16.6587 16.6591 17.4514 17.4515 17.4808 17.4809 17.7770 17.7771 k =-0.6782-0.5000-0.6951 ( 3488 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5730 -37.8052 -37.8039 -37.7256 -37.7245 -37.6455 -37.6443 -33.7175 -33.7162 -33.4104 -33.4092 -32.9750 -32.9737 -19.1637 -19.1637 -19.1634 -19.1633 -6.4989 -6.4985 -6.4585 -6.4581 -5.5734 -5.5733 -5.5021 -5.5020 -5.1007 -5.1004 -5.0424 -5.0422 -2.7366 -2.7365 -2.7359 -2.7358 -2.3643 -2.3643 -2.3639 -2.3638 -1.7097 -1.7096 -1.7085 -1.7084 6.6078 6.6080 7.0629 7.0630 7.3038 7.3041 7.4114 7.4119 7.7768 7.7770 7.9743 7.9744 7.9807 7.9809 8.2792 8.2793 8.3011 8.3017 8.9955 8.9956 9.1205 9.1205 9.1988 9.1990 9.4809 9.4810 9.8934 9.8934 9.9582 9.9582 10.0516 10.0516 10.4752 10.4753 10.6941 10.6942 11.1484 11.1489 11.3056 11.3062 11.6333 11.6337 12.4860 12.4862 14.3796 14.3801 14.5156 14.5157 14.8180 14.8188 15.0194 15.0196 15.6498 15.6500 16.8587 16.8590 17.4560 17.4561 17.5348 17.5349 18.0299 18.0299 k =-0.3391 0.2500 0.0000 ( 3507 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8058 -37.8042 -37.7255 -37.7243 -37.6476 -37.6452 -33.7180 -33.7166 -33.4103 -33.4092 -32.9762 -32.9744 -19.2239 -19.1808 -19.1464 -19.1115 -6.3675 -6.1705 -6.1461 -5.9674 -5.9067 -5.7133 -5.4940 -5.4231 -5.3341 -5.3270 -5.2621 -5.0127 -2.8368 -2.7680 -2.6980 -2.6574 -2.5399 -2.4113 -2.3614 -2.1897 -2.1516 -1.9695 -1.8823 -1.7360 6.5106 6.7664 6.8517 7.2300 7.3347 7.5072 7.6864 7.7191 7.8347 7.9090 7.9231 8.0555 8.1187 8.1222 8.2632 8.4822 8.5207 8.6658 8.7260 8.8991 9.0059 9.1982 9.3354 9.5862 9.7108 9.7172 9.9258 9.9869 10.0088 10.0092 10.1111 10.2465 10.3079 10.4822 10.6034 10.7065 11.0454 11.2030 11.2111 11.4658 11.6088 11.6896 12.3360 12.9167 13.6817 14.3327 14.4861 14.5730 14.6049 14.9829 15.0333 15.0818 15.6200 16.0783 16.5482 16.6226 16.8936 16.9437 17.3782 17.4171 17.4548 17.7784 k =-0.3391 0.2500-0.3475 ( 3500 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8059 -37.8037 -37.7257 -37.7246 -37.6468 -37.6457 -33.7181 -33.7163 -33.4106 -33.4093 -32.9756 -32.9746 -19.2118 -19.1718 -19.1550 -19.1209 -6.4695 -6.3496 -6.2742 -6.0677 -5.7649 -5.6836 -5.5136 -5.4561 -5.3269 -5.1761 -5.0819 -5.0469 -2.8787 -2.8193 -2.7672 -2.6782 -2.4403 -2.3085 -2.2260 -2.2020 -2.0952 -1.9335 -1.8318 -1.6490 6.4921 6.7597 6.7995 7.1963 7.4093 7.4468 7.4777 7.5871 7.7050 7.8132 7.9408 8.0266 8.1363 8.1992 8.2156 8.4782 8.5028 8.6119 8.6642 8.8980 9.0544 9.2216 9.2739 9.3811 9.5558 9.6315 9.8203 9.8500 10.0737 10.0923 10.2088 10.2965 10.3869 10.4676 10.5432 10.6690 11.0689 11.2609 11.3184 11.3901 11.5313 11.7109 12.3795 13.0208 13.7027 14.2952 14.4919 14.5882 14.7760 14.9044 14.9363 15.1025 15.6427 16.2195 16.4061 16.7475 16.8927 17.0820 17.3959 17.5540 17.6883 17.8541 k =-0.3391 0.2500 0.6951 ( 3502 PWs) bands (ev): -69.0543 -69.0530 -64.5742 -64.5729 -37.8057 -37.8044 -37.7260 -37.7248 -37.6471 -37.6459 -33.7181 -33.7168 -33.4108 -33.4096 -32.9760 -32.9747 -19.1843 -19.1843 -19.1438 -19.1438 -6.5606 -6.5602 -6.1594 -6.1591 -5.8382 -5.8381 -5.2905 -5.2903 -5.2048 -5.2046 -5.1092 -5.1090 -2.7861 -2.7860 -2.6808 -2.6807 -2.5947 -2.5947 -2.0489 -2.0488 -1.9357 -1.9356 -1.6646 -1.6646 6.5740 6.5741 6.8737 6.8739 7.2929 7.2930 7.5235 7.5237 7.8229 7.8230 7.9951 7.9953 8.0947 8.0949 8.3339 8.3341 8.5767 8.5768 8.7482 8.7484 8.9297 8.9299 9.2934 9.2935 9.7044 9.7045 9.8429 9.8429 10.0222 10.0223 10.1745 10.1747 10.3826 10.3827 10.6380 10.6381 11.2739 11.2743 11.3700 11.3703 11.5872 11.5875 12.6737 12.6741 14.0053 14.0058 14.6335 14.6339 14.8757 14.8765 14.9805 14.9808 15.8035 15.8038 16.7828 16.7832 17.0097 17.0098 17.5342 17.5342 17.8406 17.8407 ------ SPIN DOWN ---------- k = 0.0000 0.0000 0.0000 ( 3523 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8067 -37.8049 -37.7273 -37.7250 -37.6474 -37.6461 -33.7187 -33.7165 -33.4112 -33.4096 -32.9763 -32.9750 -19.2498 -19.1857 -19.1378 -19.0902 -6.5745 -6.1601 -6.0199 -6.0124 -5.9676 -5.7029 -5.3912 -5.3116 -5.2641 -5.1575 -5.1101 -5.0237 -2.9311 -2.8777 -2.8606 -2.8391 -2.6602 -2.5569 -2.4760 -2.2645 -2.2304 -1.8561 -1.6610 -1.5719 6.1792 6.5926 6.7195 7.0032 7.1370 7.5219 7.6559 7.8361 7.9067 7.9667 8.0415 8.1880 8.2374 8.4322 8.4576 8.6594 8.6887 8.8032 8.8569 8.8760 8.9215 9.0550 9.4910 9.5590 9.6883 9.8943 9.9303 10.0537 10.1158 10.2746 10.3055 10.3685 10.3775 10.8095 10.8199 10.8215 10.8924 10.9713 11.1067 11.1236 11.5069 11.7852 12.1684 12.6724 13.3893 14.0938 14.5323 14.5652 14.7936 14.8494 15.1868 15.1953 15.6467 16.0222 16.2097 16.7030 16.8744 16.8779 16.9179 17.0027 17.2489 17.5906 k = 0.0000 0.0000 0.3475 ( 3521 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8066 -37.8050 -37.7264 -37.7251 -37.6476 -37.6463 -33.7184 -33.7168 -33.4107 -33.4095 -32.9765 -32.9751 -19.2328 -19.1739 -19.1507 -19.1035 -6.4404 -6.4188 -6.2152 -5.9843 -5.7347 -5.6607 -5.6149 -5.4167 -5.2308 -5.1644 -5.0849 -5.0296 -2.9277 -2.8532 -2.8505 -2.7194 -2.5715 -2.3013 -2.2892 -2.2806 -2.2324 -1.8331 -1.7396 -1.6122 6.2873 6.6455 6.6879 7.1813 7.2733 7.4813 7.5246 7.7329 7.7560 7.8593 8.0495 8.1031 8.2624 8.2728 8.3122 8.3678 8.3684 8.5921 8.8422 8.9141 9.2029 9.2508 9.3069 9.4931 9.7088 9.8437 9.8603 9.8768 10.0211 10.2026 10.2288 10.3398 10.4706 10.4997 10.5950 10.6796 11.0448 11.1545 11.2210 11.5210 11.5312 11.7121 12.3944 12.7996 13.4197 14.2930 14.4924 14.6435 14.6963 14.9672 15.0685 15.1130 15.6308 16.1323 16.3473 16.7492 16.7829 16.9347 17.2513 17.3628 17.4193 17.6568 k = 0.0000 0.0000-0.6951 ( 3520 PWs) bands (ev): -69.0544 -69.0532 -64.5740 -64.5728 -37.8064 -37.8051 -37.7269 -37.7258 -37.6481 -37.6468 -33.7183 -33.7170 -33.4111 -33.4100 -32.9768 -32.9756 -19.1937 -19.1936 -19.1355 -19.1355 -6.4717 -6.4713 -6.0646 -6.0645 -5.8653 -5.8648 -5.4624 -5.4623 -5.2239 -5.2238 -5.0535 -5.0534 -2.8440 -2.8439 -2.7387 -2.7386 -2.4616 -2.4615 -2.0583 -2.0582 -1.9699 -1.9698 -1.7468 -1.7467 6.4842 6.4846 6.9099 6.9101 7.3873 7.3878 7.5819 7.5822 7.8865 7.8868 7.9857 7.9861 8.0841 8.0841 8.1908 8.1910 8.5276 8.5277 8.8346 8.8350 9.1090 9.1093 9.4642 9.4642 9.6369 9.6370 9.8908 9.8910 9.9688 9.9689 10.1488 10.1489 10.4713 10.4715 10.5536 10.5538 11.2979 11.2987 11.4372 11.4378 11.5515 11.5522 12.9134 12.9141 13.7302 13.7309 14.6896 14.6906 14.8767 14.8777 14.9485 14.9494 16.1693 16.1702 16.5492 16.5501 16.8837 16.8838 17.2747 17.2748 17.7519 17.7520 k = 0.0000 0.2500 0.0000 ( 3493 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8058 -37.8034 -37.7265 -37.7235 -37.6464 -37.6451 -33.7180 -33.7153 -33.4108 -33.4082 -32.9756 -32.9742 -19.2405 -19.1952 -19.1309 -19.0973 -6.4842 -6.1129 -6.0323 -6.0081 -6.0049 -5.8002 -5.4012 -5.3039 -5.2953 -5.1597 -5.1486 -4.9956 -2.9218 -2.8736 -2.8651 -2.8299 -2.6659 -2.5616 -2.3437 -2.2212 -2.1177 -1.9341 -1.7891 -1.6392 6.2846 6.6470 6.8782 7.1396 7.1751 7.4986 7.7212 7.8500 7.8740 8.0024 8.0093 8.1018 8.1878 8.3577 8.3879 8.5186 8.6840 8.7006 8.8057 8.8273 8.8695 9.2537 9.4403 9.5769 9.7435 9.8094 9.8821 9.9628 10.1787 10.2622 10.3486 10.3885 10.4397 10.6066 10.6603 10.7502 10.8090 11.0786 11.1700 11.2365 11.5929 11.7696 12.1850 12.8087 13.6889 14.0937 14.5066 14.5176 14.7948 14.8873 15.1572 15.1579 15.6442 15.9421 16.3248 16.6232 16.8051 17.1013 17.1675 17.1725 17.2556 17.4583 k = 0.0000 0.2500 0.3475 ( 3516 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8061 -37.8048 -37.7264 -37.7246 -37.6476 -37.6464 -33.7181 -33.7165 -33.4107 -33.4092 -32.9766 -32.9751 -19.2240 -19.1819 -19.1446 -19.1107 -6.3806 -6.3597 -6.2019 -6.0407 -5.7523 -5.7227 -5.5755 -5.5239 -5.2185 -5.1619 -5.0750 -5.0082 -2.9589 -2.8648 -2.8213 -2.8151 -2.4179 -2.3386 -2.2616 -2.2282 -2.1657 -1.8564 -1.8139 -1.6580 6.3899 6.7121 6.7670 7.1915 7.3661 7.4750 7.4870 7.6671 7.7935 7.9021 8.0222 8.0809 8.2270 8.2711 8.3047 8.4088 8.4365 8.5516 8.7090 8.9295 8.9822 9.1924 9.2870 9.4326 9.6553 9.7410 9.8007 10.0083 10.0628 10.1157 10.1711 10.3620 10.4497 10.5873 10.6152 10.7658 10.9942 11.1739 11.2786 11.5141 11.5943 11.6732 12.4083 12.9563 13.6786 14.2957 14.5145 14.6074 14.6402 14.9453 15.0443 15.0960 15.6267 16.0700 16.3960 16.7279 16.8773 16.9365 17.2321 17.3189 17.4374 17.5933 k = 0.0000 0.2500-0.6951 ( 3512 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8063 -37.8050 -37.7260 -37.7248 -37.6477 -37.6465 -33.7182 -33.7169 -33.4104 -33.4092 -32.9766 -32.9753 -19.1864 -19.1864 -19.1429 -19.1428 -6.4173 -6.4168 -6.1205 -6.1202 -5.8537 -5.8535 -5.4188 -5.4186 -5.3002 -5.3000 -5.0399 -5.0398 -2.8921 -2.8920 -2.6708 -2.6708 -2.5216 -2.5215 -2.0118 -2.0118 -1.9362 -1.9361 -1.7783 -1.7782 6.5535 6.5538 6.9094 6.9096 7.4528 7.4530 7.5862 7.5864 7.8012 7.8013 7.9950 7.9952 8.1436 8.1439 8.2253 8.2256 8.5055 8.5057 8.8542 8.8545 8.9345 8.9348 9.1700 9.1701 9.6357 9.6357 9.9478 9.9479 10.0755 10.0756 10.1825 10.1827 10.5078 10.5080 10.6454 10.6455 11.3289 11.3293 11.4173 11.4176 11.5088 11.5093 13.0477 13.0485 13.8343 13.8350 14.6519 14.6529 14.8526 14.8536 14.9091 14.9100 16.1562 16.1572 16.4435 16.4444 16.9545 16.9546 17.1566 17.1566 17.7355 17.7356 k = 0.0000-0.5000 0.0000 ( 3480 PWs) bands (ev): -69.0544 -69.0531 -64.5741 -64.5728 -37.8051 -37.8035 -37.7248 -37.7235 -37.6467 -37.6444 -33.7173 -33.7155 -33.4095 -33.4083 -32.9759 -32.9735 -19.2181 -19.2179 -19.1142 -19.1141 -6.3013 -6.2041 -5.9968 -5.9949 -5.9821 -5.9681 -5.4006 -5.3663 -5.2717 -5.2085 -5.0810 -5.0215 -2.8845 -2.8793 -2.8673 -2.8665 -2.5999 -2.5997 -2.1020 -2.0957 -2.0710 -2.0640 -1.8666 -1.8452 6.3806 6.7477 7.1147 7.2113 7.4260 7.4497 7.5514 7.7958 7.8798 7.9454 8.0984 8.1146 8.1701 8.1964 8.1996 8.3241 8.6536 8.7246 8.7281 8.8283 8.8427 9.3953 9.4888 9.6706 9.7400 9.7599 9.8219 10.0447 10.1100 10.1422 10.3030 10.4236 10.4286 10.5265 10.5266 10.6517 10.7722 11.1394 11.2823 11.3180 11.6508 11.7357 12.1972 12.9367 14.0465 14.0899 14.4048 14.4876 14.7886 14.9394 15.1120 15.1134 15.6301 15.8666 16.4853 16.6934 16.7315 17.0434 17.1600 17.4139 17.4836 17.6016 k = 0.0000-0.5000 0.3475 ( 3500 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8057 -37.8042 -37.7254 -37.7240 -37.6471 -37.6458 -33.7177 -33.7161 -33.4101 -33.4085 -32.9761 -32.9747 -19.2029 -19.2027 -19.1281 -19.1279 -6.2947 -6.2279 -6.1983 -6.1911 -5.7147 -5.7140 -5.6603 -5.6463 -5.1655 -5.1190 -5.0725 -5.0421 -2.9670 -2.9656 -2.7844 -2.7843 -2.3215 -2.3176 -2.2542 -2.2536 -1.9891 -1.9803 -1.7911 -1.7813 6.4856 6.7602 7.0203 7.1815 7.2508 7.3940 7.6117 7.7115 7.7911 7.9005 8.0386 8.0694 8.0930 8.2446 8.3045 8.4580 8.5028 8.5645 8.6009 8.7801 9.0230 9.0693 9.2217 9.4328 9.4662 9.6070 9.8289 9.9851 10.1031 10.1492 10.3239 10.3479 10.5235 10.5389 10.6646 10.6826 10.9791 11.2516 11.3182 11.5268 11.6311 11.6359 12.4191 13.0974 13.9720 14.3113 14.5253 14.5622 14.5835 14.9206 15.0295 15.0711 15.6225 16.0040 16.4191 16.7707 16.9849 17.0680 17.1243 17.2494 17.4135 17.4438 k = 0.0000-0.5000-0.6951 ( 3496 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8059 -37.8046 -37.7253 -37.7241 -37.6474 -37.6461 -33.7179 -33.7166 -33.4099 -33.4088 -32.9763 -32.9750 -19.1749 -19.1749 -19.1546 -19.1545 -6.3028 -6.3024 -6.2428 -6.2423 -5.8329 -5.8329 -5.3863 -5.3861 -5.3349 -5.3347 -5.0623 -5.0622 -2.8953 -2.8952 -2.6188 -2.6187 -2.6061 -2.6060 -1.9422 -1.9421 -1.9099 -1.9098 -1.8277 -1.8276 6.6587 6.6588 6.8426 6.8427 7.4807 7.4813 7.7038 7.7040 7.8748 7.8752 7.9605 7.9607 8.1732 8.1736 8.2194 8.2195 8.4146 8.4147 8.6415 8.6417 8.9195 8.9197 9.0026 9.0027 9.6514 9.6515 9.9010 9.9011 10.2067 10.2068 10.2872 10.2872 10.4963 10.4965 10.7287 10.7288 11.3546 11.3552 11.3893 11.3901 11.4738 11.4745 13.1404 13.1411 13.9856 13.9864 14.6074 14.6083 14.8280 14.8290 14.8646 14.8656 16.1442 16.1451 16.3474 16.3483 16.9323 16.9324 17.1856 17.1857 17.6543 17.6544 k = 0.3391 0.0000 0.0000 ( 3509 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8056 -37.8042 -37.7266 -37.7251 -37.6468 -37.6454 -33.7175 -33.7162 -33.4107 -33.4095 -32.9759 -32.9744 -19.2327 -19.1718 -19.1535 -19.1043 -6.4387 -6.2133 -6.1754 -5.9589 -5.8110 -5.6267 -5.5658 -5.5068 -5.3072 -5.2533 -5.2259 -4.9846 -2.8458 -2.7630 -2.7352 -2.6355 -2.5263 -2.4801 -2.4017 -2.2634 -2.2292 -1.9108 -1.7859 -1.6635 6.3950 6.7078 6.7333 7.2351 7.2366 7.5996 7.6719 7.7636 7.8161 7.9141 7.9748 8.0596 8.1216 8.1493 8.1991 8.4207 8.5888 8.7025 8.7758 9.0274 9.1568 9.1885 9.4726 9.5054 9.6070 9.8315 9.8452 9.9364 10.0339 10.1421 10.1433 10.1993 10.2811 10.4236 10.6502 10.8106 11.0390 11.0886 11.3088 11.4541 11.5414 11.6963 12.3335 12.7960 13.4139 14.3411 14.4334 14.6262 14.6302 14.9933 15.0612 15.1056 15.6247 16.1431 16.4716 16.7344 16.7438 16.9161 17.3373 17.3934 17.4121 17.7475 k = 0.3391 0.0000 0.3475 ( 3503 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8059 -37.8041 -37.7263 -37.7247 -37.6469 -37.6456 -33.7178 -33.7161 -33.4105 -33.4092 -32.9760 -32.9745 -19.2202 -19.1678 -19.1575 -19.1135 -6.5326 -6.3975 -6.2949 -5.9633 -5.7547 -5.6449 -5.5555 -5.3798 -5.3332 -5.2154 -5.0681 -5.0458 -2.8287 -2.8203 -2.8029 -2.6052 -2.5229 -2.3484 -2.2931 -2.1964 -2.1503 -1.8436 -1.8344 -1.5942 6.3917 6.6456 6.7665 7.1637 7.3660 7.4295 7.5011 7.5954 7.7286 7.8068 7.9853 8.0135 8.0711 8.1762 8.3110 8.4416 8.5337 8.6253 8.8717 8.9989 9.0239 9.2189 9.3001 9.3700 9.5912 9.7066 9.8474 9.9454 10.0026 10.0866 10.2297 10.3216 10.4095 10.5039 10.5723 10.6903 10.9207 11.2138 11.3066 11.3687 11.5228 11.7175 12.3595 12.8928 13.4972 14.1968 14.5015 14.6088 14.8481 14.9185 14.9534 15.1355 15.6547 16.2590 16.5027 16.5951 16.8631 17.1032 17.5244 17.5773 17.6732 17.8250 k = 0.3391 0.0000-0.6951 ( 3496 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8056 -37.8043 -37.7261 -37.7250 -37.6467 -37.6454 -33.7177 -33.7164 -33.4105 -33.4093 -32.9758 -32.9745 -19.1917 -19.1916 -19.1363 -19.1362 -6.6258 -6.6254 -5.9868 -5.9867 -5.9508 -5.9506 -5.2948 -5.2947 -5.2022 -5.2021 -5.0960 -5.0958 -2.7325 -2.7324 -2.7216 -2.7215 -2.6024 -2.6023 -2.0251 -2.0250 -1.9925 -1.9924 -1.6371 -1.6370 6.4858 6.4861 6.8785 6.8786 7.1535 7.1537 7.5825 7.5826 7.8662 7.8663 7.9867 7.9869 8.0699 8.0703 8.3334 8.3336 8.6165 8.6166 8.8429 8.8431 9.1281 9.1283 9.2229 9.2232 9.6891 9.6892 9.8936 9.8937 9.9870 9.9872 10.2011 10.2011 10.4404 10.4406 10.5827 10.5829 11.1341 11.1346 11.4251 11.4254 11.6062 11.6065 12.5860 12.5864 13.8459 13.8464 14.6664 14.6667 14.8934 14.8941 15.0374 15.0377 15.8336 15.8340 16.8831 16.8834 17.0123 17.0124 17.5668 17.5669 17.7486 17.7487 k = 0.3391 0.2500 0.0000 ( 3507 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8059 -37.8043 -37.7257 -37.7245 -37.6476 -37.6453 -33.7179 -33.7165 -33.4101 -33.4089 -32.9761 -32.9744 -19.2239 -19.1808 -19.1464 -19.1115 -6.3675 -6.1705 -6.1461 -5.9673 -5.9066 -5.7133 -5.4939 -5.4232 -5.3342 -5.3270 -5.2621 -5.0127 -2.8368 -2.7680 -2.6979 -2.6574 -2.5399 -2.4113 -2.3615 -2.1897 -2.1516 -1.9694 -1.8823 -1.7360 6.5107 6.7663 6.8516 7.2301 7.3347 7.5071 7.6864 7.7191 7.8347 7.9089 7.9230 8.0555 8.1186 8.1222 8.2631 8.4821 8.5206 8.6656 8.7261 8.8991 9.0059 9.1982 9.3354 9.5862 9.7107 9.7172 9.9258 9.9868 10.0088 10.0091 10.1110 10.2464 10.3079 10.4822 10.6034 10.7065 11.0454 11.2030 11.2112 11.4657 11.6088 11.6895 12.3360 12.9169 13.6819 14.3327 14.4861 14.5730 14.6049 14.9830 15.0334 15.0818 15.6200 16.0783 16.5482 16.6226 16.8937 16.9437 17.3782 17.4171 17.4547 17.7785 k = 0.3391 0.2500 0.3475 ( 3500 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8060 -37.8038 -37.7258 -37.7247 -37.6469 -37.6458 -33.7180 -33.7162 -33.4104 -33.4091 -32.9756 -32.9746 -19.2118 -19.1718 -19.1549 -19.1209 -6.4695 -6.3496 -6.2743 -6.0677 -5.7649 -5.6836 -5.5137 -5.4561 -5.3269 -5.1761 -5.0820 -5.0469 -2.8787 -2.8193 -2.7672 -2.6782 -2.4403 -2.3085 -2.2259 -2.2020 -2.0952 -1.9335 -1.8318 -1.6490 6.4922 6.7597 6.7994 7.1963 7.4093 7.4468 7.4776 7.5871 7.7049 7.8132 7.9408 8.0266 8.1363 8.1991 8.2156 8.4781 8.5027 8.6118 8.6642 8.8979 9.0543 9.2217 9.2739 9.3811 9.5558 9.6315 9.8204 9.8500 10.0737 10.0922 10.2087 10.2965 10.3869 10.4676 10.5432 10.6690 11.0689 11.2609 11.3184 11.3901 11.5313 11.7108 12.3796 13.0208 13.7030 14.2952 14.4919 14.5882 14.7760 14.9044 14.9364 15.1025 15.6427 16.2196 16.4061 16.7475 16.8927 17.0820 17.3960 17.5540 17.6883 17.8540 k = 0.3391 0.2500-0.6951 ( 3502 PWs) bands (ev): -69.0544 -69.0532 -64.5740 -64.5728 -37.8058 -37.8045 -37.7261 -37.7250 -37.6472 -37.6459 -33.7180 -33.7167 -33.4105 -33.4094 -32.9760 -32.9747 -19.1843 -19.1843 -19.1438 -19.1438 -6.5606 -6.5602 -6.1594 -6.1591 -5.8382 -5.8381 -5.2905 -5.2903 -5.2048 -5.2046 -5.1092 -5.1091 -2.7860 -2.7860 -2.6808 -2.6807 -2.5947 -2.5946 -2.0490 -2.0489 -1.9356 -1.9355 -1.6647 -1.6646 6.5740 6.5742 6.8737 6.8739 7.2929 7.2930 7.5234 7.5237 7.8229 7.8230 7.9951 7.9952 8.0947 8.0950 8.3339 8.3341 8.5767 8.5768 8.7481 8.7482 8.9296 8.9298 9.2934 9.2935 9.7044 9.7045 9.8428 9.8429 10.0222 10.0222 10.1745 10.1748 10.3825 10.3826 10.6380 10.6381 11.2740 11.2744 11.3700 11.3703 11.5871 11.5875 12.6738 12.6742 14.0054 14.0059 14.6335 14.6339 14.8758 14.8765 14.9806 14.9809 15.8035 15.8039 16.7828 16.7832 17.0097 17.0098 17.5342 17.5342 17.8406 17.8407 k = 0.3391-0.5000 0.0000 ( 3526 PWs) bands (ev): -69.0544 -69.0532 -64.5740 -64.5728 -37.8066 -37.8052 -37.7264 -37.7251 -37.6484 -37.6465 -33.7184 -33.7169 -33.4108 -33.4095 -32.9772 -32.9753 -19.2026 -19.2023 -19.1291 -19.1289 -6.2529 -6.1629 -6.0705 -6.0343 -5.9009 -5.8698 -5.4528 -5.4363 -5.3578 -5.2883 -5.2005 -5.1567 -2.7626 -2.7581 -2.7164 -2.7107 -2.4789 -2.4773 -2.1097 -2.1075 -2.0913 -2.0817 -1.9408 -1.9266 6.6025 6.8780 7.1191 7.2087 7.3509 7.3853 7.5166 7.7634 7.8229 7.9174 7.9528 8.0200 8.0915 8.2508 8.3338 8.3488 8.5534 8.5598 8.7336 8.7470 8.8680 9.0062 9.3793 9.6572 9.6985 9.9017 9.9334 9.9413 9.9987 10.0253 10.0792 10.2640 10.3202 10.4429 10.4913 10.5199 11.1005 11.2540 11.2840 11.4658 11.6369 11.6447 12.3409 13.0617 13.9736 14.3425 14.5014 14.5079 14.5802 14.9525 15.0038 15.0458 15.5927 15.9865 16.4452 16.7794 17.0046 17.1675 17.1903 17.2609 17.6489 17.7430 k = 0.3391-0.5000 0.3475 ( 3500 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8061 -37.8038 -37.7259 -37.7244 -37.6467 -37.6457 -33.7180 -33.7159 -33.4103 -33.4089 -32.9758 -32.9747 -19.1915 -19.1913 -19.1386 -19.1383 -6.3345 -6.2896 -6.2852 -6.2170 -5.7257 -5.6997 -5.5823 -5.5473 -5.2018 -5.1714 -5.1083 -5.0760 -2.8790 -2.8743 -2.7104 -2.7062 -2.3543 -2.3485 -2.1586 -2.1428 -2.0501 -2.0401 -1.7786 -1.7738 6.5656 6.8763 6.9677 7.1461 7.3681 7.3903 7.5803 7.5889 7.7479 7.8652 7.9416 7.9837 8.0522 8.1406 8.2867 8.4471 8.4910 8.6008 8.6634 8.8310 8.8897 9.0106 9.2664 9.2925 9.6036 9.7075 9.7805 9.9154 9.9889 10.0864 10.2196 10.2353 10.3712 10.4085 10.6930 10.7134 11.1357 11.2957 11.3320 11.3668 11.5354 11.6605 12.4009 13.1584 13.9235 14.4286 14.4921 14.5350 14.7152 14.8545 14.9177 15.0825 15.6258 16.1639 16.2921 16.8720 17.0174 17.1092 17.2982 17.4203 17.6482 17.7238 k = 0.3391-0.5000-0.6951 ( 3500 PWs) bands (ev): -69.0544 -69.0532 -64.5740 -64.5728 -37.8062 -37.8049 -37.7254 -37.7242 -37.6472 -37.6459 -33.7181 -33.7168 -33.4099 -33.4088 -32.9761 -32.9749 -19.1713 -19.1713 -19.1570 -19.1569 -6.4091 -6.4087 -6.3606 -6.3602 -5.7670 -5.7670 -5.3203 -5.3202 -5.2001 -5.1999 -5.1129 -5.1128 -2.7808 -2.7808 -2.6973 -2.6972 -2.5870 -2.5870 -2.0715 -2.0714 -1.8635 -1.8634 -1.7089 -1.7089 6.6359 6.6359 6.9208 6.9208 7.4009 7.4014 7.5670 7.5671 7.8025 7.8026 7.9430 7.9431 8.0914 8.0916 8.2534 8.2535 8.4156 8.4157 8.8333 8.8333 8.9171 8.9172 9.1546 9.1547 9.6151 9.6152 9.8837 9.8838 9.9794 9.9795 10.2492 10.2493 10.4049 10.4050 10.7123 10.7124 11.2762 11.2766 11.4077 11.4080 11.5490 11.5495 12.7302 12.7306 14.2253 14.2259 14.5811 14.5815 14.8499 14.8508 14.9337 14.9340 15.7790 15.7793 16.6742 16.6745 17.0124 17.0124 17.5684 17.5685 17.7047 17.7047 k =-0.6782 0.0000 0.0000 ( 3526 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8062 -37.8049 -37.7268 -37.7256 -37.6466 -37.6453 -33.7179 -33.7166 -33.4110 -33.4098 -32.9757 -32.9744 -19.1925 -19.1924 -19.1381 -19.1380 -6.2704 -6.2701 -6.0537 -6.0534 -5.7752 -5.7748 -5.5844 -5.5841 -5.4240 -5.4236 -5.1017 -5.1015 -2.6683 -2.6682 -2.6148 -2.6148 -2.3545 -2.3545 -2.2141 -2.2140 -2.1087 -2.1087 -1.8972 -1.8972 6.6507 6.6512 7.1209 7.1211 7.5153 7.5157 7.7508 7.7512 7.8132 7.8135 7.8794 7.8796 7.9670 7.9671 8.3002 8.3006 8.4986 8.4989 8.9021 8.9024 9.1238 9.1240 9.3272 9.3275 9.5036 9.5038 9.9008 9.9010 10.0508 10.0510 10.1263 10.1265 10.1680 10.1682 10.7462 10.7463 11.2535 11.2543 11.4636 11.4643 11.4962 11.4968 12.8616 12.8624 13.6137 13.6145 14.7389 14.7399 14.8504 14.8513 14.9425 14.9435 16.0711 16.0720 16.5226 16.5235 17.0590 17.0591 17.6501 17.6501 17.7448 17.7448 k =-0.6782 0.0000 0.3475 ( 3484 PWs) bands (ev): -69.0544 -69.0531 -64.5741 -64.5728 -37.8049 -37.8036 -37.7253 -37.7242 -37.6462 -37.6449 -33.7170 -33.7157 -33.4099 -33.4088 -32.9754 -32.9741 -19.1911 -19.1910 -19.1376 -19.1375 -6.5658 -6.5654 -5.9690 -5.9688 -5.9140 -5.9136 -5.3459 -5.3458 -5.2419 -5.2416 -5.1536 -5.1533 -2.7118 -2.7118 -2.6249 -2.6248 -2.5272 -2.5272 -2.1050 -2.1049 -2.0675 -2.0673 -1.6959 -1.6959 6.5737 6.5740 6.9822 6.9823 7.1803 7.1805 7.6568 7.6569 7.8651 7.8653 7.9446 7.9448 8.0836 8.0838 8.4386 8.4387 8.5385 8.5387 8.8809 8.8810 9.0578 9.0579 9.1533 9.1535 9.5627 9.5628 9.8538 9.8540 10.1288 10.1290 10.2501 10.2503 10.3595 10.3597 10.5685 10.5686 11.1063 11.1067 11.3701 11.3704 11.6622 11.6623 12.5623 12.5627 13.8014 13.8019 14.6592 14.6595 14.9215 14.9224 15.0362 15.0363 15.8063 15.8068 16.8699 16.8704 17.0573 17.0574 17.7202 17.7202 17.7840 17.7841 k =-0.6782 0.0000-0.6951 ( 3492 PWs) bands (ev): -69.0544 -69.0532 -64.5741 -64.5728 -37.8059 -37.8046 -37.7267 -37.7256 -37.6464 -37.6451 -33.7179 -33.7166 -33.4110 -33.4099 -32.9756 -32.9743 -19.1896 -19.1896 -19.1371 -19.1371 -6.7433 -6.7429 -6.0612 -6.0608 -5.8119 -5.8119 -5.4411 -5.4409 -5.0688 -5.0687 -5.0354 -5.0351 -2.7534 -2.7533 -2.7039 -2.7038 -2.5846 -2.5845 -2.0972 -2.0972 -1.9066 -1.9065 -1.5660 -1.5659 6.4756 6.4757 6.8336 6.8337 7.0040 7.0040 7.6134 7.6136 7.8280 7.8284 7.8719 7.8721 8.1836 8.1841 8.4710 8.4711 8.4745 8.4746 9.0100 9.0100 9.1103 9.1104 9.2240 9.2243 9.3505 9.3509 9.8054 9.8054 10.2552 10.2553 10.3931 10.3932 10.4693 10.4693 10.5715 10.5717 10.9278 10.9281 11.2247 11.2251 11.6687 11.6691 12.3985 12.3987 13.8822 13.8827 14.6269 14.6271 14.9149 14.9156 15.0906 15.0908 15.7058 15.7061 17.0597 17.0598 17.0950 17.0954 17.8847 17.8848 17.8967 17.8968 k =-0.6782 0.2500 0.0000 ( 3520 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8061 -37.8048 -37.7264 -37.7253 -37.6470 -37.6457 -33.7179 -33.7166 -33.4107 -33.4096 -32.9760 -32.9747 -19.1846 -19.1846 -19.1461 -19.1461 -6.2363 -6.2272 -6.0649 -6.0541 -5.7557 -5.7413 -5.5707 -5.5231 -5.4959 -5.4679 -5.1746 -5.1697 -2.6985 -2.6958 -2.4742 -2.4558 -2.4095 -2.4065 -2.2003 -2.1975 -2.1056 -2.0892 -1.9633 -1.9614 6.7574 6.7696 7.0933 7.0965 7.4087 7.5167 7.6680 7.7082 7.8330 7.8475 7.9534 7.9626 7.9975 8.1416 8.3369 8.3516 8.4816 8.4830 8.7169 8.7746 8.9883 9.0125 9.1267 9.1463 9.7089 9.7209 9.9031 9.9063 9.9899 10.0415 10.0826 10.1601 10.2177 10.3483 10.6445 10.6840 11.1982 11.3245 11.3885 11.4705 11.5292 11.5302 12.9343 12.9564 13.7506 13.7589 14.7057 14.7171 14.8228 14.8302 14.9010 14.9244 16.0632 16.0807 16.3914 16.4089 17.1499 17.1728 17.6075 17.6160 17.6766 17.7454 k =-0.6782 0.2500 0.3475 ( 3496 PWs) bands (ev): -69.0544 -69.0531 -64.5741 -64.5728 -37.8056 -37.8041 -37.7259 -37.7251 -37.6463 -37.6449 -33.7174 -33.7162 -33.4106 -33.4092 -32.9754 -32.9742 -19.1833 -19.1833 -19.1455 -19.1455 -6.5078 -6.5022 -6.1311 -6.1079 -5.8044 -5.7684 -5.4148 -5.3766 -5.2620 -5.2089 -5.1786 -5.1453 -2.7352 -2.7318 -2.6407 -2.6355 -2.4381 -2.4309 -2.1828 -2.1733 -2.0001 -1.9917 -1.7457 -1.7437 6.6548 6.6761 6.9696 7.0271 7.2757 7.3079 7.4737 7.6433 7.8652 7.8942 7.9163 7.9985 8.0605 8.2111 8.2680 8.3971 8.4269 8.5475 8.6976 8.8058 8.8976 9.1320 9.3476 9.4322 9.4744 9.5455 9.7001 9.8011 9.9583 10.0769 10.1935 10.2645 10.3733 10.3949 10.5211 10.6227 11.1300 11.2810 11.3543 11.3995 11.5805 11.6683 12.6206 12.6347 13.9678 13.9864 14.6196 14.6371 14.8729 14.8997 14.9947 15.0142 15.7740 15.7937 16.7157 16.7798 17.1595 17.1924 17.7080 17.7444 17.7919 17.7976 k =-0.6782 0.2500-0.6951 ( 3488 PWs) bands (ev): -69.0544 -69.0532 -64.5741 -64.5728 -37.8055 -37.8042 -37.7260 -37.7248 -37.6463 -37.6450 -33.7176 -33.7163 -33.4104 -33.4093 -32.9755 -32.9743 -19.1820 -19.1820 -19.1449 -19.1448 -6.6740 -6.6737 -6.2163 -6.2159 -5.7333 -5.7333 -5.4046 -5.4044 -5.1052 -5.1051 -5.0354 -5.0352 -2.7489 -2.7488 -2.7173 -2.7172 -2.5246 -2.5245 -2.1799 -2.1799 -1.8414 -1.8412 -1.6033 -1.6032 6.5485 6.5486 6.9168 6.9169 7.1145 7.1146 7.5195 7.5198 7.8431 7.8434 7.9148 7.9150 8.2019 8.2023 8.3059 8.3060 8.4199 8.4201 8.8021 8.8022 9.1155 9.1156 9.2420 9.2422 9.6539 9.6540 9.7399 9.7399 10.1514 10.1515 10.1729 10.1731 10.4134 10.4135 10.5996 10.5997 11.1163 11.1165 11.2607 11.2610 11.6559 11.6562 12.4437 12.4439 14.0915 14.0920 14.5941 14.5944 14.8826 14.8834 15.0529 15.0530 15.6798 15.6800 16.9514 16.9517 17.2189 17.2190 17.7890 17.7891 17.9157 17.9158 k =-0.6782-0.5000 0.0000 ( 3504 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8055 -37.8042 -37.7260 -37.7248 -37.6465 -37.6452 -33.7174 -33.7161 -33.4104 -33.4092 -32.9756 -32.9743 -19.1656 -19.1656 -19.1653 -19.1653 -6.1661 -6.1658 -6.0992 -6.0989 -5.6696 -5.6694 -5.6335 -5.6333 -5.3873 -5.3870 -5.3187 -5.3185 -2.5974 -2.5974 -2.5856 -2.5856 -2.2367 -2.2366 -2.2229 -2.2228 -2.0857 -2.0857 -2.0714 -2.0714 6.9254 6.9256 7.0315 7.0317 7.3578 7.3583 7.7542 7.7546 7.8889 7.8890 7.9500 7.9503 8.2590 8.2594 8.3669 8.3669 8.4331 8.4334 8.5960 8.5962 8.7480 8.7483 9.0680 9.0683 9.8998 9.9000 9.9656 9.9657 10.0061 10.0064 10.0684 10.0687 10.4376 10.4377 10.4823 10.4824 11.3005 11.3013 11.3962 11.3969 11.5523 11.5529 12.9975 12.9982 13.9239 13.9247 14.6836 14.6845 14.7870 14.7880 14.8945 14.8955 16.0708 16.0717 16.2900 16.2909 17.4079 17.4079 17.4497 17.4498 17.6396 17.6396 k =-0.6782-0.5000 0.3475 ( 3496 PWs) bands (ev): -69.0544 -69.0531 -64.5741 -64.5728 -37.8055 -37.8042 -37.7254 -37.7242 -37.6466 -37.6453 -33.7175 -33.7162 -33.4099 -33.4088 -32.9757 -32.9744 -19.1646 -19.1646 -19.1643 -19.1643 -6.3605 -6.3601 -6.3129 -6.3126 -5.6199 -5.6198 -5.5376 -5.5375 -5.2326 -5.2323 -5.1566 -5.1564 -2.6968 -2.6968 -2.6880 -2.6879 -2.3046 -2.3046 -2.2951 -2.2950 -1.8680 -1.8680 -1.8642 -1.8642 6.7524 6.7525 7.0546 7.0547 7.3595 7.3600 7.5951 7.5953 7.8185 7.8186 7.8877 7.8878 8.1258 8.1260 8.2287 8.2289 8.4381 8.4383 8.8621 8.8621 9.0322 9.0323 9.2190 9.2191 9.5685 9.5686 9.6890 9.6890 9.9997 9.9998 10.1341 10.1343 10.4947 10.4949 10.5628 10.5630 11.2617 11.2624 11.4076 11.4078 11.5859 11.5860 12.6744 12.6748 14.1961 14.1966 14.5823 14.5826 14.8354 14.8363 14.9830 14.9833 15.7518 15.7521 16.6587 16.6590 17.4515 17.4515 17.4809 17.4809 17.7770 17.7771 k =-0.6782-0.5000-0.6951 ( 3488 PWs) bands (ev): -69.0544 -69.0531 -64.5741 -64.5728 -37.8053 -37.8040 -37.7258 -37.7246 -37.6456 -37.6443 -33.7174 -33.7161 -33.4101 -33.4090 -32.9750 -32.9737 -19.1637 -19.1637 -19.1633 -19.1633 -6.4989 -6.4985 -6.4585 -6.4581 -5.5733 -5.5732 -5.5022 -5.5020 -5.1006 -5.1004 -5.0425 -5.0422 -2.7366 -2.7365 -2.7359 -2.7358 -2.3643 -2.3643 -2.3639 -2.3638 -1.7098 -1.7097 -1.7084 -1.7083 6.6079 6.6081 7.0628 7.0629 7.3037 7.3040 7.4113 7.4118 7.7768 7.7771 7.9744 7.9745 7.9807 7.9808 8.2792 8.2793 8.3012 8.3018 8.9954 8.9955 9.1203 9.1204 9.1989 9.1990 9.4807 9.4808 9.8936 9.8936 9.9582 9.9582 10.0516 10.0517 10.4751 10.4753 10.6941 10.6942 11.1483 11.1489 11.3056 11.3062 11.6332 11.6336 12.4860 12.4863 14.3798 14.3802 14.5155 14.5157 14.8181 14.8189 15.0195 15.0197 15.6498 15.6500 16.8586 16.8590 17.4560 17.4561 17.5347 17.5347 18.0298 18.0299 k =-0.3391 0.2500 0.0000 ( 3507 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8060 -37.8047 -37.7256 -37.7244 -37.6470 -37.6454 -33.7179 -33.7161 -33.4101 -33.4090 -32.9766 -32.9743 -19.2239 -19.1808 -19.1463 -19.1116 -6.3669 -6.1687 -6.1610 -5.9405 -5.9064 -5.7256 -5.4947 -5.4641 -5.3357 -5.2710 -5.2533 -5.0387 -2.8348 -2.7674 -2.6781 -2.6565 -2.5509 -2.4123 -2.3644 -2.2004 -2.1569 -1.9661 -1.8768 -1.7351 6.5035 6.7864 6.8417 7.2234 7.3362 7.5323 7.6179 7.7532 7.8231 7.8929 7.8934 8.0629 8.0948 8.2575 8.3563 8.4892 8.4896 8.5637 8.7712 8.8513 8.9488 9.0183 9.5551 9.6835 9.7396 9.8543 9.9043 9.9387 9.9519 9.9786 10.0842 10.1650 10.3619 10.3656 10.6072 10.6994 11.1241 11.1247 11.3086 11.4638 11.6042 11.6458 12.3472 12.9650 13.6710 14.3637 14.4423 14.5984 14.6047 14.9721 15.0208 15.0701 15.6071 16.0601 16.5229 16.5581 16.9910 16.9982 17.2949 17.3710 17.5030 17.8282 k =-0.3391 0.2500-0.3475 ( 3500 PWs) bands (ev): -69.0544 -69.0531 -64.5740 -64.5728 -37.8061 -37.8042 -37.7259 -37.7246 -37.6463 -37.6456 -33.7178 -33.7159 -33.4103 -33.4091 -32.9760 -32.9747 -19.2118 -19.1718 -19.1549 -19.1209 -6.4722 -6.3675 -6.2428 -6.0771 -5.7691 -5.6354 -5.5933 -5.4430 -5.2870 -5.1910 -5.0803 -5.0534 -2.8740 -2.8209 -2.7666 -2.6754 -2.4364 -2.3232 -2.2222 -2.1963 -2.1009 -1.9379 -1.8260 -1.6486 6.4806 6.7413 6.8181 7.2185 7.3645 7.4846 7.5093 7.5946 7.6574 7.8352 7.9554 7.9797 8.0748 8.1396 8.4188 8.4452 8.5348 8.6183 8.7275 8.9022 8.9096 9.0604 9.3405 9.4085 9.5330 9.7352 9.7739 9.9358 9.9561 10.0948 10.2311 10.3046 10.4175 10.4800 10.5798 10.6794 11.0910 11.2450 11.3291 11.3774 11.4797 11.6789 12.3905 13.0550 13.7027 14.2807 14.5069 14.5640 14.8053 14.8747 14.9417 15.1149 15.6406 16.2060 16.3729 16.7275 16.9747 17.0419 17.4376 17.5418 17.6372 17.8149 k =-0.3391 0.2500 0.6951 ( 3502 PWs) bands (ev): -69.0544 -69.0532 -64.5740 -64.5728 -37.8061 -37.8048 -37.7261 -37.7250 -37.6469 -37.6457 -33.7178 -33.7165 -33.4105 -33.4094 -32.9762 -32.9749 -19.1843 -19.1842 -19.1438 -19.1438 -6.5639 -6.5635 -6.1481 -6.1478 -5.8476 -5.8475 -5.2991 -5.2990 -5.1855 -5.1854 -5.1187 -5.1185 -2.7862 -2.7861 -2.6793 -2.6793 -2.5943 -2.5942 -2.0564 -2.0563 -1.9284 -1.9283 -1.6660 -1.6659 6.5414 6.5415 6.9346 6.9347 7.2718 7.2720 7.5125 7.5127 7.8433 7.8435 7.9470 7.9471 8.1093 8.1097 8.3888 8.3889 8.5081 8.5083 8.7907 8.7908 8.9070 8.9072 9.3361 9.3362 9.6258 9.6259 9.8585 9.8585 10.0199 10.0200 10.1889 10.1891 10.4048 10.4050 10.6803 10.6803 11.1630 11.1634 11.4570 11.4572 11.5715 11.5720 12.6606 12.6610 14.0191 14.0196 14.6214 14.6218 14.8828 14.8837 14.9900 14.9903 15.8131 15.8135 16.7682 16.7685 17.0022 17.0023 17.4949 17.4950 17.8206 17.8207 the Fermi energy is 13.2693 ev ! total energy = -1618.44288770 Ry Harris-Foulkes estimate = -1618.44288990 Ry estimated scf accuracy < 0.00000407 Ry The total energy is the sum of the following terms: one-electron contribution = -613.06588309 Ry hartree contribution = 415.21383625 Ry xc contribution = -361.05011296 Ry ewald contribution = -1059.54072791 Ry smearing contrib. (-TS) = 0.00000000 Ry total magnetization = 0.00 Bohr mag/cell absolute magnetization = 15.93 Bohr mag/cell convergence has been achieved in 11 iterations Writing output data file lamno3.save PWSCF : 23m 7.66s CPU time, 30m30.99s wall time init_run : 53.34s CPU electrons : 1329.31s CPU Called by init_run: wfcinit : 44.90s CPU potinit : 1.91s CPU Called by electrons: c_bands : 1188.09s CPU ( 11 calls, 108.008 s avg) sum_band : 111.10s CPU ( 11 calls, 10.100 s avg) v_of_rho : 2.11s CPU ( 12 calls, 0.176 s avg) newd : 26.95s CPU ( 12 calls, 2.246 s avg) mix_rho : 0.22s CPU ( 11 calls, 0.020 s avg) Called by c_bands: init_us_2 : 2.50s CPU ( 1380 calls, 0.002 s avg) cegterg : 1155.55s CPU ( 660 calls, 1.751 s avg) Called by *egterg: h_psi : 366.87s CPU ( 2459 calls, 0.149 s avg) s_psi : 43.91s CPU ( 2459 calls, 0.018 s avg) g_psi : 2.70s CPU ( 1739 calls, 0.002 s avg) cdiaghg : 665.13s CPU ( 2399 calls, 0.277 s avg) Called by h_psi: add_vuspsi : 44.84s CPU ( 2459 calls, 0.018 s avg) General routines calbec : 47.01s CPU ( 3119 calls, 0.015 s avg) cft3s : 257.22s CPU ( 432866 calls, 0.001 s avg) interpolate : 0.12s CPU ( 46 calls, 0.003 s avg) davcio : 3.50s CPU ( 2100 calls, 0.002 s avg) Parallel routines fft_scatter : 176.51s CPU ( 432866 calls, 0.000 s avg) PS: Read file for stderr output of this job.