Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -2.699200421279937e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -3.573999311833169e-16 | PASS |
| Multipoles [step 20] | -1.265537116546970e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | -2.664535259100376e-15 | PASS |
| Forces [step 1] | 8.537674454622035e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -5.995204332975845e-15 | PASS |
| Forces [step 20] | 7.966913104353068e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -5.551115123125783e-15 | PASS |