Input 06-rdmft.03-gs_grid.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_mpi_min

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 -1.176087155200000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172222000000890e-04 PASS
RDMFT highest occupation number 1.946763519295000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.319765900007155e-05 PASS
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