Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619878e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | 9.769962616701378e-14 | PASS |
| Energy [step 103] | -1.351222686779598e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | 4.440892098500626e-14 | PASS |
| Multipoles [step 83] | 5.517961617461357e-04 | 5.517961618275108e-04 | 1.210000000000000e-13 | -8.137511931655128e-14 | PASS |
| Multipoles [step 103] | 3.943654428718695e-03 | 3.943654428877074e-03 | 2.080000000000000e-13 | -1.583793859949445e-13 | PASS |