Input 06-rdmft.03-gs_grid.inp

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Run spack_intel-2022a_impi_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 -1.176087141700000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172087000000822e-04 PASS
RDMFT highest occupation number 1.946763505091000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.321186300004776e-05 PASS
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