Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_opt_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351350309405776e+01 | -1.351350309405791e+01 | 3.480000000000000e-13 | 1.474376176702208e-13 | PASS |
| Energy [step 103] | -1.351351009473362e+01 | -1.351351009473370e+01 | 4.500000000000000e-13 | 7.993605777301127e-14 | PASS |
| Multipoles [step 83] | 6.218975442168033e-04 | 6.218975443429170e-04 | 3.000000000000000e-13 | -1.261137461822104e-13 | PASS |
| Multipoles [step 103] | 3.990050594171853e-03 | 3.990050594276555e-03 | 3.000000000000000e-13 | -1.047027048395321e-13 | PASS |