Input 06-rdmft.02-gs_basis.inp

Commits > Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 > Run intel-2022b_impi

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 -1.150819613900000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372221999999979e-04 PASS
RDMFT highest occupation number 1.935739470359000e+00 1.935709828519000e+00 1.000000000000000e-03 2.964184000009418e-05 PASS
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