Input 06-rdmft.02-gs_basis.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2022a_cuda_mpi_omp

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 -1.150739999400000e+00 -1.150582391700000e+00 1.000000000000000e-03 -1.576077000000620e-04 PASS
RDMFT highest occupation number 1.935638253218000e+00 1.935709828519000e+00 1.000000000000000e-03 -7.157530099988207e-05 PASS
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