Input 06-rdmft.02-gs_basis.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > 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 -1.150739987100000e+00 -1.150582391700000e+00 1.000000000000000e-03 -1.575953999999324e-04 PASS
RDMFT highest occupation number 1.935638148877000e+00 1.935709828519000e+00 1.000000000000000e-03 -7.167964199994437e-05 PASS
Compare to other inputs