Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_min_autotools: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351387940465752e+01 | -1.351387940465781e+01 | 5.000000000000000e-13 | 2.913225216616411e-13 | PASS |
| Energy [step 52] | -1.351350086579628e+01 | -1.351350086579652e+01 | 5.000000000000000e-13 | 2.398081733190338e-13 | PASS |
| Multipoles [step 0] | -1.149397326408002e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.149397326408002e-16 | PASS |
| Multipoles [step 52] | -3.793333093246166e-03 | -3.793333093268998e-03 | 1.000000000000000e-13 | 2.283156302906875e-14 | PASS |