Input 06-rdmft.03-gs_grid.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run cmake_foss_2022a_min_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 -1.176087156000000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172229999999331e-04 PASS
RDMFT highest occupation number 1.946763522491000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.319446299994034e-05 PASS
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