Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351387940465777e+01 | -1.351387940465781e+01 | 5.000000000000000e-13 | 4.085620730620576e-14 | PASS |
| Energy [step 52] | -1.351350086579625e+01 | -1.351350086579652e+01 | 5.000000000000000e-13 | 2.735589532676386e-13 | PASS |
| Multipoles [step 0] | -9.730546942945255e-17 | 0.000000000000000e+00 | 1.000000000000000e-15 | -9.730546942945255e-17 | PASS |
| Multipoles [step 52] | -3.793333093341248e-03 | -3.793333093268998e-03 | 1.000000000000000e-13 | -7.225036541269603e-14 | PASS |