Input 06-rdmft.03-gs_grid.inp

Commits > Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 > Run foss_autotools: [foss2023b-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 -1.176087144200000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172112000000670e-04 PASS
RDMFT highest occupation number 1.946763510933000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.320602100005289e-05 PASS
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