Input 05-time_propagation.06-td_fast_md.inp
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 |