Input 06-rdmft.02-gs_basis.inp

Commits > Commit adb0a770f40b5954f8a07de2fe2e63c9718fe526 > Run eb_fosscuda-2022a

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 -1.150740001900000e+00 -1.150582391700000e+00 1.000000000000000e-03 -1.576102000000468e-04 PASS
RDMFT highest occupation number 1.935638260176000e+00 1.935709828519000e+00 1.000000000000000e-03 -7.156834299992809e-05 PASS
Compare to other inputs