Input 06-rdmft.02-gs_basis.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_cmake_mpi_min: [foss2023a-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 1.935739431319000e+00 1.935709828519000e+00 1.000000000000000e-03 2.960279999997262e-05 PASS
Compare to other inputs