Input 05-time_propagation.06-td_fast_md.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-3.791009280177393e+01 |
-3.791009280177380e+01 |
1.900000000000000e-12 |
-1.278976924368180e-13 |
PASS |
| Energy [step 5] |
-3.790974154516931e+01 |
-3.790974154516920e+01 |
2.000000000000000e-13 |
-1.136868377216160e-13 |
PASS |
| Energy [step 10] |
-3.790950309455621e+01 |
-3.790950309455620e+01 |
1.900000000000000e-12 |
-1.421085471520200e-14 |
PASS |
| Energy [step 15] |
-3.790933797735697e+01 |
-3.790933797735690e+01 |
1.900000000000000e-12 |
-7.105427357601002e-14 |
PASS |
| Energy [step 20] |
-3.790917483206944e+01 |
-3.790917483206940e+01 |
1.900000000000000e-12 |
-4.263256414560601e-14 |
PASS |
| Forces [step 1] |
-1.422367890291421e-02 |
-1.422367890292098e-02 |
3.190000000000000e-14 |
6.775829897165409e-15 |
PASS |
| Forces [step 5] |
-7.618874990419577e-03 |
-7.618874990413800e-03 |
4.420000000000000e-14 |
-5.777496536740756e-15 |
PASS |
| Forces [step 10] |
-9.391687584815234e-03 |
-9.391687584811126e-03 |
3.720000000000000e-14 |
-4.107825191113079e-15 |
PASS |
| Forces [step 15] |
-1.049280232293004e-02 |
-1.049280232292293e-02 |
3.980000000000000e-14 |
-7.108896804552955e-15 |
PASS |
| Forces [step 20] |
-9.513371027088047e-03 |
-9.513371027100001e-03 |
4.760000000000000e-12 |
1.195397947295618e-14 |
PASS |