Input 06-rdmft.03-gs_grid.inp

Commits > Commit 08a5f74afd5d598cfac916cc3bce9be78be030c2 > Run foss-cmake-zen4: [foss2023a-serial, foss-min]

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 -1.176087140000000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172069999999415e-04 PASS
RDMFT highest occupation number 1.946763497588000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.321936600004683e-05 PASS
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