Input 06-rdmft.02-gs_basis.inp

Commits > Commit d6f4833c99197407842d58e82c91c418d3d73b88 > Run spack_foss-2022a_ppc

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 -1.150819601900000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372102000001153e-04 PASS
RDMFT highest occupation number 1.935739370910000e+00 1.935709828519000e+00 1.000000000000000e-03 2.954239099994815e-05 PASS
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