Input 06-rdmft.02-gs_basis.inp

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Run spack_foss-2023a_serial_opt

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 -1.150819630900000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372392000000723e-04 PASS
RDMFT highest occupation number 1.935739549206000e+00 1.935709828519000e+00 1.000000000000000e-03 2.972068700013430e-05 PASS
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