Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351387940465788e+01 | -1.351387940465781e+01 | 5.000000000000000e-13 | -7.283063041541027e-14 | PASS |
| Energy [step 52] | -1.351350086579650e+01 | -1.351350086579652e+01 | 5.000000000000000e-13 | 2.131628207280301e-14 | PASS |
| Multipoles [step 0] | 7.774759600612605e-17 | 0.000000000000000e+00 | 1.000000000000000e-15 | 7.774759600612605e-17 | PASS |
| Multipoles [step 52] | -3.793333093329969e-03 | -3.793333093268998e-03 | 1.000000000000000e-13 | -6.097075969102583e-14 | PASS |