Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run foss-serial-debug: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -5.292114768867644e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -2.950314278771024e-15 | PASS |
| Multipoles [step 20] | -1.265537116546964e-01 | -1.265537116546943e-01 | 4.140000000000000e-15 | -2.109423746787797e-15 | PASS |
| Forces [step 1] | 8.537674454622568e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -6.661338147750939e-16 | PASS |
| Forces [step 20] | 7.966913104353557e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -6.661338147750939e-16 | PASS |