Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -6.459416253832076e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -4.117615763735456e-15 | PASS |
| Multipoles [step 20] | -1.265537116546981e-01 | -1.265537116546943e-01 | 4.140000000000000e-15 | -3.747002708109903e-15 | PASS |
| Forces [step 1] | 8.537674454622302e-02 | 8.537674454622635e-02 | 3.660000000000000e-15 | -3.330669073875470e-15 | PASS |
| Forces [step 20] | 7.966913104353646e-02 | 7.966913104353623e-02 | 2.200000000000000e-15 | 2.220446049250313e-16 | PASS |