Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run foss-serial-full: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | 2.959348159592163e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | 5.301148649688783e-15 | PASS |
| Multipoles [step 20] | -1.265537116546919e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | 2.414735078559715e-15 | PASS |
| Forces [step 1] | 8.537674454622524e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -1.110223024625157e-15 | PASS |
| Forces [step 20] | 7.966913104353557e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -6.661338147750939e-16 | PASS |