Input 06-rdmft.03-gs_grid.inp

Commits > Commit b08cdf9f90eeeab45fcb6d927fb00af611869fe1 > 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 -1.176087141500000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172085000000656e-04 PASS
RDMFT highest occupation number 1.946763502762000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.321419199992960e-05 PASS
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