Input 05-time_propagation.06-td_fast_md.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-3.791009280177399e+01 |
-3.791009280177380e+01 |
1.900000000000000e-12 |
-1.918465386552271e-13 |
PASS |
| Energy [step 5] |
-3.790974154516929e+01 |
-3.790974154516920e+01 |
2.000000000000000e-13 |
-9.237055564881302e-14 |
PASS |
| Energy [step 10] |
-3.790950309455624e+01 |
-3.790950309455620e+01 |
1.900000000000000e-12 |
-3.552713678800501e-14 |
PASS |
| Energy [step 15] |
-3.790933797735687e+01 |
-3.790933797735690e+01 |
1.900000000000000e-12 |
2.842170943040401e-14 |
PASS |
| Energy [step 20] |
-3.790917483206918e+01 |
-3.790917483206940e+01 |
1.900000000000000e-12 |
2.131628207280301e-13 |
PASS |
| Forces [step 1] |
-1.422367890292175e-02 |
-1.422367890290800e-02 |
2.910000000000000e-14 |
-1.375462244102010e-14 |
PASS |
| Forces [step 5] |
-7.618874990424018e-03 |
-7.618874990413800e-03 |
2.500000000000000e-14 |
-1.021838863524138e-14 |
PASS |
| Forces [step 10] |
-9.391687584816122e-03 |
-9.391687584811126e-03 |
2.300000000000000e-14 |
-4.996003610813204e-15 |
PASS |
| Forces [step 15] |
-1.049280232293848e-02 |
-1.049280232292293e-02 |
2.660000000000000e-14 |
-1.554659179170415e-14 |
PASS |
| Forces [step 20] |
-9.513371027096262e-03 |
-9.513371027100001e-03 |
4.760000000000000e-12 |
3.738329090730019e-15 |
PASS |