Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351350309405810e+01 | -1.351350309405791e+01 | 3.480000000000000e-13 | -1.865174681370263e-13 | PASS |
| Energy [step 103] | -1.351351009473386e+01 | -1.351351009473370e+01 | 4.500000000000000e-13 | -1.563194018672220e-13 | PASS |
| Multipoles [step 83] | 6.218975442041908e-04 | 6.218975443429170e-04 | 3.000000000000000e-13 | -1.387262700547343e-13 | PASS |
| Multipoles [step 103] | 3.990050594172964e-03 | 3.990050594276555e-03 | 3.000000000000000e-13 | -1.035916144531690e-13 | PASS |