Input 13-absorption-spin.01-gs.inp

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -6.134127260000000e+00 -6.134127260000000e+00 3.070000000000000e-07 0.000000000000000e+00 PASS
Compare to other inputs