Input 06-rdmft.03-gs_grid.inp

Commits > Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c > Run eb_foss-2022b_libxc6_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 -1.176087148500000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172154999999787e-04 PASS
RDMFT highest occupation number 1.946763494839000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.322211499996342e-05 PASS
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