Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619885e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | 3.019806626980426e-14 | PASS |
| Energy [step 103] | -1.351222686779579e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | 2.255973186038318e-13 | PASS |
| Multipoles [step 83] | 5.517961619146681e-04 | 5.517961618275108e-04 | 1.210000000000000e-13 | 8.715727792263372e-14 | PASS |
| Multipoles [step 103] | 3.943654429059134e-03 | 3.943654428877074e-03 | 2.080000000000000e-13 | 1.820600961655039e-13 | PASS |