Input 06-rdmft.02-gs_basis.inp

Commits > Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 > Run foss_mpi_autotools: [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 -1.150819632100000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372403999999495e-04 PASS
RDMFT highest occupation number 1.935739443147000e+00 1.935709828519000e+00 1.000000000000000e-03 2.961462800010750e-05 PASS
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