Input 06-rdmft.02-gs_basis.inp

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Run spack_foss-2022a_ppc

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 -1.150819621600000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372298999999689e-04 PASS
RDMFT highest occupation number 1.935739504046000e+00 1.935709828519000e+00 1.000000000000000e-03 2.967552699995046e-05 PASS
Compare to other inputs