Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351350309405791e+01 | -1.351350309405791e+01 | 3.480000000000000e-13 | 3.552713678800501e-15 | PASS |
| Energy [step 103] | -1.351351009473369e+01 | -1.351351009473370e+01 | 4.500000000000000e-13 | 8.881784197001252e-15 | PASS |
| Multipoles [step 83] | 6.218975441260276e-04 | 6.218975443429170e-04 | 3.000000000000000e-13 | -2.168894404352972e-13 | PASS |
| Multipoles [step 103] | 3.990050594134708e-03 | 3.990050594276555e-03 | 3.000000000000000e-13 | -1.418474712688855e-13 | PASS |