Input 06-rdmft.03-gs_grid.inp

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > 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 -1.176116735000000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.468019999999349e-04 PASS
RDMFT highest occupation number 1.946718852854000e+00 1.946806716954000e+00 1.000000000000000e-03 -8.786409999994582e-05 PASS
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