Input 06-rdmft.03-gs_grid.inp

Commits > Commit 8f782d5cf55620fdc67b764848371cb8de44e683 > 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 -1.176087152200000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172192000000628e-04 PASS
RDMFT highest occupation number 1.946763512101000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.320485299991184e-05 PASS
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