Input 06-rdmft.02-gs_basis.inp

Commits > Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd > Run cmake_foss_2022a_min_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 -1.150819616200000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372244999999662e-04 PASS
RDMFT highest occupation number 1.935739475073000e+00 1.935709828519000e+00 1.000000000000000e-03 2.964655399995131e-05 PASS
Compare to other inputs