Input 06-rdmft.03-gs_grid.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > 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 -1.176116733300000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.468003000000163e-04 PASS
RDMFT highest occupation number 1.946718824205000e+00 1.946806716954000e+00 1.000000000000000e-03 -8.789274900000699e-05 PASS
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