Input 06-rdmft.03-gs_grid.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022b_impi

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 -1.176087157600000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172246000000655e-04 PASS
RDMFT highest occupation number 1.946763534304000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.318265000002874e-05 PASS
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