Input 16-dressed-rdmft.02-hf.inp

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-03 0.000000000000000e+00 PASS
dHF converged energy -7.805470438100000e-01 -7.805470438150000e-01 1.000000000000000e-08 5.000000413701855e-12 PASS
dHF highest occupation number 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-08 0.000000000000000e+00 PASS
dHF total mode occupation 6.669012426600000e-02 6.669029538700000e-02 1.100000000000000e-06 -1.711209999949448e-07 PASS
Compare to other inputs