Input 06-rdmft.02-gs_basis.inp

Commits > Commit 68887e7ef149674fa38f143e8d88a44249e6d867 > Run foss-mpi-omp-full: [foss2023a-mpi]

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 -1.150819644700000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372530000001039e-04 PASS
RDMFT highest occupation number 1.935739545062000e+00 1.935709828519000e+00 1.000000000000000e-03 2.971654300010229e-05 PASS
Compare to other inputs