Input 06-rdmft.03-gs_grid.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run foss-min-parallel: [foss2022a-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 -1.176087144600000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172116000001001e-04 PASS
RDMFT highest occupation number 1.946763510371000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.320658300005498e-05 PASS
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