Input 05-time_propagation.06-td_fast_md.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-3.791009280177389e+01 |
-3.791009280177380e+01 |
1.900000000000000e-12 |
-8.526512829121202e-14 |
PASS |
| Energy [step 5] |
-3.790974154516933e+01 |
-3.790974154516920e+01 |
2.000000000000000e-13 |
-1.278976924368180e-13 |
PASS |
| Energy [step 10] |
-3.790950309455625e+01 |
-3.790950309455620e+01 |
1.900000000000000e-12 |
-4.973799150320701e-14 |
PASS |
| Energy [step 15] |
-3.790933797735706e+01 |
-3.790933797735690e+01 |
1.900000000000000e-12 |
-1.634248292248230e-13 |
PASS |
| Energy [step 20] |
-3.790917483206948e+01 |
-3.790917483206940e+01 |
1.900000000000000e-12 |
-8.526512829121202e-14 |
PASS |
| Forces [step 1] |
-1.422367890290976e-02 |
-1.422367890290800e-02 |
1.860000000000000e-14 |
-1.764213775068413e-15 |
PASS |
| Forces [step 5] |
-7.618874990411806e-03 |
-7.618874990413800e-03 |
1.590000000000000e-14 |
1.994064635635340e-15 |
PASS |
| Forces [step 10] |
-9.391687584811459e-03 |
-9.391687584811126e-03 |
1.530000000000000e-14 |
-3.330669073875470e-16 |
PASS |
| Forces [step 15] |
-1.049280232292471e-02 |
-1.049280232292293e-02 |
1.910000000000000e-14 |
-1.779826286352204e-15 |
PASS |
| Forces [step 20] |
-9.513371027087825e-03 |
-9.513371027100001e-03 |
4.760000000000000e-12 |
1.217602407788121e-14 |
PASS |