Input 06-rdmft.03-gs_grid.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run foss-parallel: [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 -1.176087135900000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172029000000464e-04 PASS
RDMFT highest occupation number 1.946763480886000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.323606800005209e-05 PASS
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