Input 06-rdmft.03-gs_grid.inp

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_foss-2023a_serial_opt

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 -1.176087149300000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172163000000449e-04 PASS
RDMFT highest occupation number 1.946763500403000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.321655100003596e-05 PASS
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