Input 06-rdmft.03-gs_grid.inp

Commits > Commit 2b00e292f829221e67a290b840b53bb41bb59499 > Run foss-2022a_opt

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 -1.176087155400000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172224000001055e-04 PASS
RDMFT highest occupation number 1.946763523811000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.319314300005317e-05 PASS
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