Input 06-rdmft.02-gs_basis.inp

Commits > Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac > Run cmake_foss_2022a_full_mpi

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 1.935739471056000e+00 1.935709828519000e+00 1.000000000000000e-03 2.964253700010744e-05 PASS
Compare to other inputs