Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -4.016145265471876e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -1.674344775375256e-15 | PASS |
| Multipoles [step 20] | -1.265537116546976e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | -3.330669073875470e-15 | PASS |
| Forces [step 1] | 8.537674454621857e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -7.771561172376096e-15 | PASS |
| Forces [step 20] | 7.966913104353246e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -3.774758283725532e-15 | PASS |