Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619881e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | 7.460698725481052e-14 | PASS |
| Energy [step 103] | -1.351222686779605e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | -3.019806626980426e-14 | PASS |
| Multipoles [step 83] | 5.517961617555479e-04 | 5.517961618275108e-04 | 1.210000000000000e-13 | -7.196294341677012e-14 | PASS |
| Multipoles [step 103] | 3.943654428703630e-03 | 3.943654428877074e-03 | 2.080000000000000e-13 | -1.734437246603271e-13 | PASS |