Input 06-rdmft.02-gs_basis.inp

Commits > Commit a52301560213e3c8fdab44f55dc98126fab73840 > Run spack_foss-2022a_cuda_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 -1.150739995100000e+00 -1.150582391700000e+00 1.000000000000000e-03 -1.576033999999282e-04 PASS
RDMFT highest occupation number 1.935638248234000e+00 1.935709828519000e+00 1.000000000000000e-03 -7.158028499998359e-05 PASS
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