#parallelization paral_kgb 1 npband 10 npfft 1 npkpt 1 use_gemm_nonlop 1 prtden 0 prtwf 0 prteig 0 ecut 6. # change the number of band to force occ1 occ2 to be printed in outvars bandpp1 50 bandpp2 52 nband1 500 nband2 520 #SCF cycle parameters tolvrs 1.d-3 nstep 1 nline 2 #K-points and sym occopt 3 kptopt 0 nkpt 1 nsym 1 natom 256 ntypat 1 # Species # Al znucl 13 typat 256*1 acell 1.28100000000000e+01 1.28100000000000e+01 1.28100000000000e+01 rprim 2.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 2.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 2.00000000000000e+00 xred 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 1.25000000000000e-01 1.25000000000000e-01 1.25000000000000e-01 0.00000000000000e+00 1.25000000000000e-01 1.25000000000000e-01 1.25000000000000e-01 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 2.50000000000000e-01 0.00000000000000e+00 1.25000000000000e-01 3.75000000000000e-01 1.25000000000000e-01 0.00000000000000e+00 3.75000000000000e-01 1.25000000000000e-01 1.25000000000000e-01 2.50000000000000e-01 0.00000000000000e+00 2.50000000000000e-01 0.00000000000000e+00 0.00000000000000e+00 3.75000000000000e-01 1.25000000000000e-01 1.25000000000000e-01 2.50000000000000e-01 1.25000000000000e-01 1.25000000000000e-01 3.75000000000000e-01 0.00000000000000e+00 0.00000000000000e+00 2.50000000000000e-01 2.50000000000000e-01 0.00000000000000e+00 3.75000000000000e-01 3.75000000000000e-01 1.25000000000000e-01 2.50000000000000e-01 3.75000000000000e-01 1.25000000000000e-01 3.75000000000000e-01 2.50000000000000e-01 2.50000000000000e-01 0.00000000000000e+00 0.00000000000000e+00 2.50000000000000e-01 1.25000000000000e-01 1.25000000000000e-01 3.75000000000000e-01 0.00000000000000e+00 1.25000000000000e-01 3.75000000000000e-01 1.25000000000000e-01 0.00000000000000e+00 2.50000000000000e-01 0.00000000000000e+00 2.50000000000000e-01 2.50000000000000e-01 1.25000000000000e-01 3.75000000000000e-01 3.75000000000000e-01 0.00000000000000e+00 3.75000000000000e-01 3.75000000000000e-01 1.25000000000000e-01 2.50000000000000e-01 2.50000000000000e-01 2.50000000000000e-01 0.00000000000000e+00 2.50000000000000e-01 3.75000000000000e-01 1.25000000000000e-01 3.75000000000000e-01 2.50000000000000e-01 1.25000000000000e-01 3.75000000000000e-01 3.75000000000000e-01 0.00000000000000e+00 2.50000000000000e-01 2.50000000000000e-01 2.50000000000000e-01 2.50000000000000e-01 3.75000000000000e-01 3.75000000000000e-01 3.75000000000000e-01 2.50000000000000e-01 3.75000000000000e-01 3.75000000000000e-01 3.75000000000000e-01 2.50000000000000e-01 0.00000000000000e+00 0.00000000000000e+00 5.00000000000000e-01 0.00000000000000e+00 1.25000000000000e-01 6.25000000000000e-01 1.25000000000000e-01 0.00000000000000e+00 6.25000000000000e-01 1.25000000000000e-01 1.25000000000000e-01 5.00000000000000e-01 0.00000000000000e+00 0.00000000000000e+00 7.50000000000000e-01 0.00000000000000e+00 1.25000000000000e-01 8.75000000000000e-01 1.25000000000000e-01 0.00000000000000e+00 8.75000000000000e-01 1.25000000000000e-01 1.25000000000000e-01 7.50000000000000e-01 0.00000000000000e+00 2.50000000000000e-01 5.00000000000000e-01 0.00000000000000e+00 3.75000000000000e-01 6.25000000000000e-01 1.25000000000000e-01 2.50000000000000e-01 6.25000000000000e-01 1.25000000000000e-01 3.75000000000000e-01 5.00000000000000e-01 0.00000000000000e+00 2.50000000000000e-01 7.50000000000000e-01 0.00000000000000e+00 3.75000000000000e-01 8.75000000000000e-01 1.25000000000000e-01 2.50000000000000e-01 8.75000000000000e-01 1.25000000000000e-01 3.75000000000000e-01 7.50000000000000e-01 2.50000000000000e-01 0.00000000000000e+00 5.00000000000000e-01 2.50000000000000e-01 1.25000000000000e-01 6.25000000000000e-01 3.75000000000000e-01 0.00000000000000e+00 6.25000000000000e-01 3.75000000000000e-01 1.25000000000000e-01 5.00000000000000e-01 2.50000000000000e-01 0.00000000000000e+00 7.50000000000000e-01 2.50000000000000e-01 1.25000000000000e-01 8.75000000000000e-01 3.75000000000000e-01 0.00000000000000e+00 8.75000000000000e-01 3.75000000000000e-01 1.25000000000000e-01 7.50000000000000e-01 2.50000000000000e-01 2.50000000000000e-01 5.00000000000000e-01 2.50000000000000e-01 3.75000000000000e-01 6.25000000000000e-01 3.75000000000000e-01 2.50000000000000e-01 6.25000000000000e-01 3.75000000000000e-01 3.75000000000000e-01 5.00000000000000e-01 2.50000000000000e-01 2.50000000000000e-01 7.50000000000000e-01 2.50000000000000e-01 3.75000000000000e-01 8.75000000000000e-01 3.75000000000000e-01 2.50000000000000e-01 8.75000000000000e-01 3.75000000000000e-01 3.75000000000000e-01 7.50000000000000e-01 0.00000000000000e+00 5.00000000000000e-01 0.00000000000000e+00 0.00000000000000e+00 6.25000000000000e-01 1.25000000000000e-01 1.25000000000000e-01 5.00000000000000e-01 1.25000000000000e-01 1.25000000000000e-01 6.25000000000000e-01 0.00000000000000e+00 0.00000000000000e+00 5.00000000000000e-01 2.50000000000000e-01 0.00000000000000e+00 6.25000000000000e-01 3.75000000000000e-01 1.25000000000000e-01 5.00000000000000e-01 3.75000000000000e-01 1.25000000000000e-01 6.25000000000000e-01 2.50000000000000e-01 0.00000000000000e+00 7.50000000000000e-01 0.00000000000000e+00 0.00000000000000e+00 8.75000000000000e-01 1.25000000000000e-01 1.25000000000000e-01 7.50000000000000e-01 1.25000000000000e-01 1.25000000000000e-01 8.75000000000000e-01 0.00000000000000e+00 0.00000000000000e+00 7.50000000000000e-01 2.50000000000000e-01 0.00000000000000e+00 8.75000000000000e-01 3.75000000000000e-01 1.25000000000000e-01 7.50000000000000e-01 3.75000000000000e-01 1.25000000000000e-01 8.75000000000000e-01 2.50000000000000e-01 2.50000000000000e-01 5.00000000000000e-01 0.00000000000000e+00 2.50000000000000e-01 6.25000000000000e-01 1.25000000000000e-01 3.75000000000000e-01 5.00000000000000e-01 1.25000000000000e-01 3.75000000000000e-01 6.25000000000000e-01 0.00000000000000e+00 2.50000000000000e-01 5.00000000000000e-01 2.50000000000000e-01 2.50000000000000e-01 6.25000000000000e-01 3.75000000000000e-01 3.75000000000000e-01 5.00000000000000e-01 3.75000000000000e-01 3.75000000000000e-01 6.25000000000000e-01 2.50000000000000e-01 2.50000000000000e-01 7.50000000000000e-01 0.00000000000000e+00 2.50000000000000e-01 8.75000000000000e-01 1.25000000000000e-01 3.75000000000000e-01 7.50000000000000e-01 1.25000000000000e-01 3.75000000000000e-01 8.75000000000000e-01 0.00000000000000e+00 2.50000000000000e-01 7.50000000000000e-01 2.50000000000000e-01 2.50000000000000e-01 8.75000000000000e-01 3.75000000000000e-01 3.75000000000000e-01 7.50000000000000e-01 3.75000000000000e-01 3.75000000000000e-01 8.75000000000000e-01 2.50000000000000e-01 0.00000000000000e+00 5.00000000000000e-01 5.00000000000000e-01 0.00000000000000e+00 6.25000000000000e-01 6.25000000000000e-01 1.25000000000000e-01 5.00000000000000e-01 6.25000000000000e-01 1.25000000000000e-01 6.25000000000000e-01 5.00000000000000e-01 0.00000000000000e+00 5.00000000000000e-01 7.50000000000000e-01 0.00000000000000e+00 6.25000000000000e-01 8.75000000000000e-01 1.25000000000000e-01 5.00000000000000e-01 8.75000000000000e-01 1.25000000000000e-01 6.25000000000000e-01 7.50000000000000e-01 0.00000000000000e+00 7.50000000000000e-01 5.00000000000000e-01 0.00000000000000e+00 8.75000000000000e-01 6.25000000000000e-01 1.25000000000000e-01 7.50000000000000e-01 6.25000000000000e-01 1.25000000000000e-01 8.75000000000000e-01 5.00000000000000e-01 0.00000000000000e+00 7.50000000000000e-01 7.50000000000000e-01 0.00000000000000e+00 8.75000000000000e-01 8.75000000000000e-01 1.25000000000000e-01 7.50000000000000e-01 8.75000000000000e-01 1.25000000000000e-01 8.75000000000000e-01 7.50000000000000e-01 2.50000000000000e-01 5.00000000000000e-01 5.00000000000000e-01 2.50000000000000e-01 6.25000000000000e-01 6.25000000000000e-01 3.75000000000000e-01 5.00000000000000e-01 6.25000000000000e-01 3.75000000000000e-01 6.25000000000000e-01 5.00000000000000e-01 2.50000000000000e-01 5.00000000000000e-01 7.50000000000000e-01 2.50000000000000e-01 6.25000000000000e-01 8.75000000000000e-01 3.75000000000000e-01 5.00000000000000e-01 8.75000000000000e-01 3.75000000000000e-01 6.25000000000000e-01 7.50000000000000e-01 2.50000000000000e-01 7.50000000000000e-01 5.00000000000000e-01 2.50000000000000e-01 8.75000000000000e-01 6.25000000000000e-01 3.75000000000000e-01 7.50000000000000e-01 6.25000000000000e-01 3.75000000000000e-01 8.75000000000000e-01 5.00000000000000e-01 2.50000000000000e-01 7.50000000000000e-01 7.50000000000000e-01 2.50000000000000e-01 8.75000000000000e-01 8.75000000000000e-01 3.75000000000000e-01 7.50000000000000e-01 8.75000000000000e-01 3.75000000000000e-01 8.75000000000000e-01 7.50000000000000e-01 5.00000000000000e-01 0.00000000000000e+00 0.00000000000000e+00 5.00000000000000e-01 1.25000000000000e-01 1.25000000000000e-01 6.25000000000000e-01 0.00000000000000e+00 1.25000000000000e-01 6.25000000000000e-01 1.25000000000000e-01 0.00000000000000e+00 5.00000000000000e-01 0.00000000000000e+00 2.50000000000000e-01 5.00000000000000e-01 1.25000000000000e-01 3.75000000000000e-01 6.25000000000000e-01 0.00000000000000e+00 3.75000000000000e-01 6.25000000000000e-01 1.25000000000000e-01 2.50000000000000e-01 5.00000000000000e-01 2.50000000000000e-01 0.00000000000000e+00 5.00000000000000e-01 3.75000000000000e-01 1.25000000000000e-01 6.25000000000000e-01 2.50000000000000e-01 1.25000000000000e-01 6.25000000000000e-01 3.75000000000000e-01 0.00000000000000e+00 5.00000000000000e-01 2.50000000000000e-01 2.50000000000000e-01 5.00000000000000e-01 3.75000000000000e-01 3.75000000000000e-01 6.25000000000000e-01 2.50000000000000e-01 3.75000000000000e-01 6.25000000000000e-01 3.75000000000000e-01 2.50000000000000e-01 7.50000000000000e-01 0.00000000000000e+00 0.00000000000000e+00 7.50000000000000e-01 1.25000000000000e-01 1.25000000000000e-01 8.75000000000000e-01 0.00000000000000e+00 1.25000000000000e-01 8.75000000000000e-01 1.25000000000000e-01 0.00000000000000e+00 7.50000000000000e-01 0.00000000000000e+00 2.50000000000000e-01 7.50000000000000e-01 1.25000000000000e-01 3.75000000000000e-01 8.75000000000000e-01 0.00000000000000e+00 3.75000000000000e-01 8.75000000000000e-01 1.25000000000000e-01 2.50000000000000e-01 7.50000000000000e-01 2.50000000000000e-01 0.00000000000000e+00 7.50000000000000e-01 3.75000000000000e-01 1.25000000000000e-01 8.75000000000000e-01 2.50000000000000e-01 1.25000000000000e-01 8.75000000000000e-01 3.75000000000000e-01 0.00000000000000e+00 7.50000000000000e-01 2.50000000000000e-01 2.50000000000000e-01 7.50000000000000e-01 3.75000000000000e-01 3.75000000000000e-01 8.75000000000000e-01 2.50000000000000e-01 3.75000000000000e-01 8.75000000000000e-01 3.75000000000000e-01 2.50000000000000e-01 5.00000000000000e-01 0.00000000000000e+00 5.00000000000000e-01 5.00000000000000e-01 1.25000000000000e-01 6.25000000000000e-01 6.25000000000000e-01 0.00000000000000e+00 6.25000000000000e-01 6.25000000000000e-01 1.25000000000000e-01 5.00000000000000e-01 5.00000000000000e-01 0.00000000000000e+00 7.50000000000000e-01 5.00000000000000e-01 1.25000000000000e-01 8.75000000000000e-01 6.25000000000000e-01 0.00000000000000e+00 8.75000000000000e-01 6.25000000000000e-01 1.25000000000000e-01 7.50000000000000e-01 5.00000000000000e-01 2.50000000000000e-01 5.00000000000000e-01 5.00000000000000e-01 3.75000000000000e-01 6.25000000000000e-01 6.25000000000000e-01 2.50000000000000e-01 6.25000000000000e-01 6.25000000000000e-01 3.75000000000000e-01 5.00000000000000e-01 5.00000000000000e-01 2.50000000000000e-01 7.50000000000000e-01 5.00000000000000e-01 3.75000000000000e-01 8.75000000000000e-01 6.25000000000000e-01 2.50000000000000e-01 8.75000000000000e-01 6.25000000000000e-01 3.75000000000000e-01 7.50000000000000e-01 7.50000000000000e-01 0.00000000000000e+00 5.00000000000000e-01 7.50000000000000e-01 1.25000000000000e-01 6.25000000000000e-01 8.75000000000000e-01 0.00000000000000e+00 6.25000000000000e-01 8.75000000000000e-01 1.25000000000000e-01 5.00000000000000e-01 7.50000000000000e-01 0.00000000000000e+00 7.50000000000000e-01 7.50000000000000e-01 1.25000000000000e-01 8.75000000000000e-01 8.75000000000000e-01 0.00000000000000e+00 8.75000000000000e-01 8.75000000000000e-01 1.25000000000000e-01 7.50000000000000e-01 7.50000000000000e-01 2.50000000000000e-01 5.00000000000000e-01 7.50000000000000e-01 3.75000000000000e-01 6.25000000000000e-01 8.75000000000000e-01 2.50000000000000e-01 6.25000000000000e-01 8.75000000000000e-01 3.75000000000000e-01 5.00000000000000e-01 7.50000000000000e-01 2.50000000000000e-01 7.50000000000000e-01 7.50000000000000e-01 3.75000000000000e-01 8.75000000000000e-01 8.75000000000000e-01 2.50000000000000e-01 8.75000000000000e-01 8.75000000000000e-01 3.75000000000000e-01 7.50000000000000e-01 5.00000000000000e-01 5.00000000000000e-01 0.00000000000000e+00 5.00000000000000e-01 6.25000000000000e-01 1.25000000000000e-01 6.25000000000000e-01 5.00000000000000e-01 1.25000000000000e-01 6.25000000000000e-01 6.25000000000000e-01 0.00000000000000e+00 5.00000000000000e-01 5.00000000000000e-01 2.50000000000000e-01 5.00000000000000e-01 6.25000000000000e-01 3.75000000000000e-01 6.25000000000000e-01 5.00000000000000e-01 3.75000000000000e-01 6.25000000000000e-01 6.25000000000000e-01 2.50000000000000e-01 5.00000000000000e-01 7.50000000000000e-01 0.00000000000000e+00 5.00000000000000e-01 8.75000000000000e-01 1.25000000000000e-01 6.25000000000000e-01 7.50000000000000e-01 1.25000000000000e-01 6.25000000000000e-01 8.75000000000000e-01 0.00000000000000e+00 5.00000000000000e-01 7.50000000000000e-01 2.50000000000000e-01 5.00000000000000e-01 8.75000000000000e-01 3.75000000000000e-01 6.25000000000000e-01 7.50000000000000e-01 3.75000000000000e-01 6.25000000000000e-01 8.75000000000000e-01 2.50000000000000e-01 7.50000000000000e-01 5.00000000000000e-01 0.00000000000000e+00 7.50000000000000e-01 6.25000000000000e-01 1.25000000000000e-01 8.75000000000000e-01 5.00000000000000e-01 1.25000000000000e-01 8.75000000000000e-01 6.25000000000000e-01 0.00000000000000e+00 7.50000000000000e-01 5.00000000000000e-01 2.50000000000000e-01 7.50000000000000e-01 6.25000000000000e-01 3.75000000000000e-01 8.75000000000000e-01 5.00000000000000e-01 3.75000000000000e-01 8.75000000000000e-01 6.25000000000000e-01 2.50000000000000e-01 7.50000000000000e-01 7.50000000000000e-01 0.00000000000000e+00 7.50000000000000e-01 8.75000000000000e-01 1.25000000000000e-01 8.75000000000000e-01 7.50000000000000e-01 1.25000000000000e-01 8.75000000000000e-01 8.75000000000000e-01 0.00000000000000e+00 7.50000000000000e-01 7.50000000000000e-01 2.50000000000000e-01 7.50000000000000e-01 8.75000000000000e-01 3.75000000000000e-01 8.75000000000000e-01 7.50000000000000e-01 3.75000000000000e-01 8.75000000000000e-01 8.75000000000000e-01 2.50000000000000e-01 5.00000000000000e-01 5.00000000000000e-01 5.00000000000000e-01 5.00000000000000e-01 6.25000000000000e-01 6.25000000000000e-01 6.25000000000000e-01 5.00000000000000e-01 6.25000000000000e-01 6.25000000000000e-01 6.25000000000000e-01 5.00000000000000e-01 5.00000000000000e-01 5.00000000000000e-01 7.50000000000000e-01 5.00000000000000e-01 6.25000000000000e-01 8.75000000000000e-01 6.25000000000000e-01 5.00000000000000e-01 8.75000000000000e-01 6.25000000000000e-01 6.25000000000000e-01 7.50000000000000e-01 5.00000000000000e-01 7.50000000000000e-01 5.00000000000000e-01 5.00000000000000e-01 8.75000000000000e-01 6.25000000000000e-01 6.25000000000000e-01 7.50000000000000e-01 6.25000000000000e-01 6.25000000000000e-01 8.75000000000000e-01 5.00000000000000e-01 5.00000000000000e-01 7.50000000000000e-01 7.50000000000000e-01 5.00000000000000e-01 8.75000000000000e-01 8.75000000000000e-01 6.25000000000000e-01 7.50000000000000e-01 8.75000000000000e-01 6.25000000000000e-01 8.75000000000000e-01 7.50000000000000e-01 7.50000000000000e-01 5.00000000000000e-01 5.00000000000000e-01 7.50000000000000e-01 6.25000000000000e-01 6.25000000000000e-01 8.75000000000000e-01 5.00000000000000e-01 6.25000000000000e-01 8.75000000000000e-01 6.25000000000000e-01 5.00000000000000e-01 7.50000000000000e-01 5.00000000000000e-01 7.50000000000000e-01 7.50000000000000e-01 6.25000000000000e-01 8.75000000000000e-01 8.75000000000000e-01 5.00000000000000e-01 8.75000000000000e-01 8.75000000000000e-01 6.25000000000000e-01 7.50000000000000e-01 7.50000000000000e-01 7.50000000000000e-01 5.00000000000000e-01 7.50000000000000e-01 8.75000000000000e-01 6.25000000000000e-01 8.75000000000000e-01 7.50000000000000e-01 6.25000000000000e-01 8.75000000000000e-01 8.75000000000000e-01 5.00000000000000e-01 7.50000000000000e-01 7.50000000000000e-01 7.50000000000000e-01 7.50000000000000e-01 8.75000000000000e-01 8.75000000000000e-01 8.75000000000000e-01 7.50000000000000e-01 8.75000000000000e-01 8.75000000000000e-01 8.75000000000000e-01 7.50000000000000e-01 ndtset 2 jdtset 1 2 slk_rankpp1 900 slk_rankpp2 450 prtvol 4 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosTM_pwteter/13al.pspnc" #%% #%% [setup] #%% executable = abinit #%% [files] #%% [NCPU_10] #%% files_to_test = #%% t31_MPI10.out, tolnlines = 0, tolabs = 0.000e-06, tolrel = 0.00, fld_options = -medium #%% [paral_info] #%% nprocs_to_test = 10 #%% max_nprocs = 10 #%% [extra_info] #%% authors = J. Bieder #%% keywords = #%% description = Test for input variable slk_rankpp #%%