Input 06-rdmft.02-gs_basis.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2023a_mpi_opt

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 -1.150819615800000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372240999999331e-04 PASS
RDMFT highest occupation number 1.935739475191000e+00 1.935709828519000e+00 1.000000000000000e-03 2.964667200000548e-05 PASS
Compare to other inputs