Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss-serial-full: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | 2.959348159592163e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | 5.301148649688783e-15 | PASS |
| Multipoles [step 20] | -1.265537116546929e-01 | -1.265537116546878e-01 | 1.240000000000000e-14 | -5.107025913275720e-15 | PASS |
| Forces [step 1] | 8.537674454621946e-02 | 8.537674454623700e-02 | 1.980000000000000e-14 | -1.754152378907747e-14 | PASS |
| Forces [step 20] | 7.966913104353113e-02 | 7.966913104354600e-02 | 1.830000000000000e-14 | -1.487698852997710e-14 | PASS |