Input 06-rdmft.03-gs_grid.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022a_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 -1.176087157700000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172247000000738e-04 PASS
RDMFT highest occupation number 1.946763535866000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.318108799994391e-05 PASS
Compare to other inputs