Input 06-rdmft.03-gs_grid.inp

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Run foss_mpi_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-03 0.000000000000000e+00 PASS
RDMFT converged energy -1.176087136900000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172039000001291e-04 PASS
RDMFT highest occupation number 1.946763487681000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.322927299993395e-05 PASS
Compare to other inputs