Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_omp_autotools: [intel2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351350309405810e+01 | -1.351350309405791e+01 | 3.480000000000000e-13 | -1.936228954946273e-13 | PASS |
| Energy [step 103] | -1.351351009473378e+01 | -1.351351009473370e+01 | 4.500000000000000e-13 | -8.171241461241152e-14 | PASS |
| Multipoles [step 83] | 6.218975444481741e-04 | 6.218975443429170e-04 | 3.000000000000000e-13 | 1.052570574103240e-13 | PASS |
| Multipoles [step 103] | 3.990050594386532e-03 | 3.990050594276555e-03 | 3.000000000000000e-13 | 1.099771315682396e-13 | PASS |