Input 05-time_propagation.06-td_fast_md.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-3.791009280177372e+01 |
-3.791009280177380e+01 |
1.900000000000000e-12 |
7.815970093361102e-14 |
PASS |
| Energy [step 5] |
-3.790974154516920e+01 |
-3.790974154516920e+01 |
2.000000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Energy [step 10] |
-3.790950309455604e+01 |
-3.790950309455620e+01 |
1.900000000000000e-12 |
1.563194018672220e-13 |
PASS |
| Energy [step 15] |
-3.790933797735688e+01 |
-3.790933797735690e+01 |
1.900000000000000e-12 |
1.421085471520200e-14 |
PASS |
| Energy [step 20] |
-3.790917483206937e+01 |
-3.790917483206940e+01 |
1.900000000000000e-12 |
2.842170943040401e-14 |
PASS |
| Forces [step 1] |
-1.422367890291798e-02 |
-1.422367890290800e-02 |
2.910000000000000e-14 |
-9.979864157294571e-15 |
PASS |
| Forces [step 5] |
-7.618874990428015e-03 |
-7.618874990413800e-03 |
2.500000000000000e-14 |
-1.421519152389195e-14 |
PASS |
| Forces [step 10] |
-9.391687584822561e-03 |
-9.391687584811126e-03 |
2.300000000000000e-14 |
-1.143529715363911e-14 |
PASS |
| Forces [step 15] |
-1.049280232293781e-02 |
-1.049280232292293e-02 |
2.000000000000000e-14 |
-1.488045797692905e-14 |
PASS |
| Forces [step 20] |
-9.513371027096484e-03 |
-9.513371027100001e-03 |
4.760000000000000e-12 |
3.516284485804988e-15 |
PASS |