Input 06-rdmft.03-gs_grid.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_intel-2023a_impi

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 -1.176087145600000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172125999999608e-04 PASS
RDMFT highest occupation number 1.946763488458000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.322849599991407e-05 PASS
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