Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -4.466055821060293e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -2.124255330963673e-15 | PASS |
| Multipoles [step 20] | -1.265537116546955e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | -1.165734175856414e-15 | PASS |
| Forces [step 1] | 8.537674454622657e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | 2.220446049250313e-16 | PASS |
| Forces [step 20] | 7.966913104353424e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -1.998401444325282e-15 | PASS |