Input 05-time_propagation.06-td_fast_md.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-3.791009280177392e+01 |
-3.791009280177380e+01 |
1.900000000000000e-12 |
-1.207922650792170e-13 |
PASS |
| Energy [step 5] |
-3.790974154516931e+01 |
-3.790974154516920e+01 |
2.000000000000000e-13 |
-1.136868377216160e-13 |
PASS |
| Energy [step 10] |
-3.790950309455619e+01 |
-3.790950309455620e+01 |
1.900000000000000e-12 |
7.105427357601002e-15 |
PASS |
| Energy [step 15] |
-3.790933797735696e+01 |
-3.790933797735690e+01 |
1.900000000000000e-12 |
-5.684341886080801e-14 |
PASS |
| Energy [step 20] |
-3.790917483206942e+01 |
-3.790917483206940e+01 |
1.900000000000000e-12 |
-2.131628207280301e-14 |
PASS |
| Forces [step 1] |
-1.422367890292198e-02 |
-1.422367890290800e-02 |
1.860000000000000e-14 |
-1.397666704594513e-14 |
PASS |
| Forces [step 5] |
-7.618874990426683e-03 |
-7.618874990413800e-03 |
1.590000000000000e-14 |
-1.288292389434176e-14 |
PASS |
| Forces [step 10] |
-9.391687584820341e-03 |
-9.391687584811126e-03 |
1.530000000000000e-14 |
-9.214851104388799e-15 |
PASS |
| Forces [step 15] |
-1.049280232293315e-02 |
-1.049280232292293e-02 |
1.910000000000000e-14 |
-1.021752127350339e-14 |
PASS |
| Forces [step 20] |
-9.513371027093154e-03 |
-9.513371027100001e-03 |
4.760000000000000e-12 |
6.846953559680458e-15 |
PASS |