Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -3.815780150347430e-15 | -2.341800490096620e-15 | 1.000000000000000e-14 | -1.473979660250810e-15 | PASS |
| Multipoles [step 20] | -1.265537116546979e-01 | -1.265537116546943e-01 | 1.000000000000000e-14 | -3.635980405647388e-15 | PASS |
| Forces [step 1] | 8.537674454621902e-02 | 8.537674454622635e-02 | 1.000000000000000e-14 | -7.327471962526033e-15 | PASS |
| Forces [step 20] | 7.966913104353157e-02 | 7.966913104353623e-02 | 1.000000000000000e-14 | -4.662936703425657e-15 | PASS |