Input 06-rdmft.02-gs_basis.inp

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Run foss-mpi-full: [foss2023a-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 -1.150819631600000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372398999999081e-04 PASS
RDMFT highest occupation number 1.935739451383000e+00 1.935709828519000e+00 1.000000000000000e-03 2.962286399998959e-05 PASS
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