Input 06-rdmft.03-gs_grid.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > 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 -1.176087154200000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172212000000062e-04 PASS
RDMFT highest occupation number 1.946763522264000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.319468999991471e-05 PASS
Compare to other inputs