Input 06-rdmft.03-gs_grid.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 -1.176087123800000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.171907999999334e-04 PASS
RDMFT highest occupation number 1.946763434453000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.328250099994158e-05 PASS
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