Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -3.384344623394865e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -1.042544133298245e-15 | PASS |
| Multipoles [step 20] | -1.265537116546767e-01 | -1.265537116546878e-01 | 1.240000000000000e-14 | 1.107447467063594e-14 | PASS |
| Forces [step 1] | 8.537674454625499e-02 | 8.537674454623700e-02 | 1.980000000000000e-14 | 1.798561299892754e-14 | PASS |
| Forces [step 20] | 7.966913104356133e-02 | 7.966913104354600e-02 | 1.830000000000000e-14 | 1.532107773982716e-14 | PASS |