Input 05-time_propagation.06-td_fast_md.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -3.791009280177381e+01 | -3.791009280177380e+01 | 1.900000000000000e-12 | -7.105427357601002e-15 | PASS |
| Energy [step 5] | -3.790974154516923e+01 | -3.790974154516920e+01 | 2.000000000000000e-13 | -2.842170943040401e-14 | PASS |
| Energy [step 10] | -3.790950309455617e+01 | -3.790950309455620e+01 | 1.900000000000000e-12 | 2.842170943040401e-14 | PASS |
| Energy [step 15] | -3.790933797735687e+01 | -3.790933797735690e+01 | 1.900000000000000e-12 | 2.842170943040401e-14 | PASS |
| Energy [step 20] | -3.790917483206935e+01 | -3.790917483206940e+01 | 1.900000000000000e-12 | 4.263256414560601e-14 | PASS |
| Forces [step 1] | -1.422367890293930e-02 | -1.422367890292098e-02 | 3.190000000000000e-14 | -1.831521045936313e-14 | PASS |
| Forces [step 5] | -7.618874990433788e-03 | -7.618874990413800e-03 | 4.420000000000000e-14 | -1.998835125194276e-14 | PASS |
| Forces [step 10] | -9.391687584825226e-03 | -9.391687584811126e-03 | 3.720000000000000e-14 | -1.409983241273949e-14 | PASS |
| Forces [step 15] | -1.049280232293492e-02 | -1.049280232292293e-02 | 3.980000000000000e-14 | -1.199387811290364e-14 | PASS |
| Forces [step 20] | -9.513371027094486e-03 | -9.513371027100001e-03 | 4.760000000000000e-12 | 5.514685930130270e-15 | PASS |