Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -1.279827013410308e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | 1.061973476686312e-15 | PASS |
| Multipoles [step 20] | -1.265537116546978e-01 | -1.265537116546943e-01 | 4.140000000000000e-15 | -3.441691376337985e-15 | PASS |
| Forces [step 1] | 8.537674454621813e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -8.215650382226158e-15 | PASS |
| Forces [step 20] | 7.966913104352757e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -8.659739592076221e-15 | PASS |