Input 06-rdmft.03-gs_grid.inp

Commits > Commit 6816b153d33f61198d1ef96fd0f4ab733dba1073 > 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
Compare to other inputs