Input 06-rdmft.03-gs_grid.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run spack_foss-2023a_serial

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 -1.176087168700000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172357000000957e-04 PASS
RDMFT highest occupation number 1.946763569237000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.314771699998055e-05 PASS
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