Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss_cmake: [foss2023a-mpi, foss-min-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] | -1.265537116546971e-01 | -1.265537116546878e-01 | 1.240000000000000e-14 | -9.270362255620057e-15 | PASS |
| Forces [step 1] | 8.537674454622124e-02 | 8.537674454623700e-02 | 1.980000000000000e-14 | -1.576516694967722e-14 | PASS |
| Forces [step 20] | 7.966913104353068e-02 | 7.966913104354600e-02 | 1.830000000000000e-14 | -1.532107773982716e-14 | PASS |