Input 06-rdmft.03-gs_grid.inp

Commits > Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 > Run foss-mpi-opt-full: [foss2023a-mpi]

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 -1.176087140900000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172079000000160e-04 PASS
RDMFT highest occupation number 1.946763499148000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.321780599991776e-05 PASS
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