Input 06-rdmft.03-gs_grid.inp

Commits > Commit b08cdf9f90eeeab45fcb6d927fb00af611869fe1 > Run foss-parallel-zen4: [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 -1.176087140400000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172073999999746e-04 PASS
RDMFT highest occupation number 1.946763498919000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.321803500006993e-05 PASS
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