Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_omp_autotools: [intel2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351387940465795e+01 | -1.351387940465781e+01 | 5.000000000000000e-13 | -1.421085471520200e-13 | PASS |
| Energy [step 52] | -1.351350086579671e+01 | -1.351350086579652e+01 | 5.000000000000000e-13 | -1.847411112976260e-13 | PASS |
| Multipoles [step 0] | -3.466614923751594e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.466614923751594e-16 | PASS |
| Multipoles [step 52] | -3.793333093257105e-03 | -3.793333093268998e-03 | 1.000000000000000e-13 | 1.189326415129699e-14 | PASS |