Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run intel_omp_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | 1.520580536484850e-16 | -2.341800490096620e-15 | 5.950000000000000e-15 | 2.493858543745105e-15 | PASS |
| Multipoles [step 20] | -1.265537116546939e-01 | -1.265537116546878e-01 | 1.240000000000000e-14 | -6.078471059822732e-15 | PASS |
| Forces [step 1] | 8.537674454621902e-02 | 8.537674454623700e-02 | 1.980000000000000e-14 | -1.798561299892754e-14 | PASS |
| Forces [step 20] | 7.966913104353202e-02 | 7.966913104354600e-02 | 1.830000000000000e-14 | -1.398881011027697e-14 | PASS |