Input 06-rdmft.02-gs_basis.inp

Commits > Commit 0eb882d93dcc47f8554e98f5f256d6c6053dae9c > Run spack_foss-2023a_serial_omp

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 -1.150819622600000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372309000000516e-04 PASS
RDMFT highest occupation number 1.935739498825000e+00 1.935709828519000e+00 1.000000000000000e-03 2.967030600009579e-05 PASS
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