Input 06-rdmft.03-gs_grid.inp

Commits > Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 > Run foss-2022a_omp

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 -1.176087152900000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172199000001207e-04 PASS
RDMFT highest occupation number 1.946763519161000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.319779299999382e-05 PASS
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