Input 05-time_propagation.06-td_fast_md.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-3.791009280177380e+01 |
-3.791009280177380e+01 |
1.900000000000000e-12 |
0.000000000000000e+00 |
PASS |
| Energy [step 5] |
-3.790974154516927e+01 |
-3.790974154516920e+01 |
2.000000000000000e-13 |
-7.105427357601002e-14 |
PASS |
| Energy [step 10] |
-3.790950309455625e+01 |
-3.790950309455620e+01 |
1.900000000000000e-12 |
-4.973799150320701e-14 |
PASS |
| Energy [step 15] |
-3.790933797735691e+01 |
-3.790933797735690e+01 |
1.900000000000000e-12 |
-1.421085471520200e-14 |
PASS |
| Energy [step 20] |
-3.790917483206943e+01 |
-3.790917483206940e+01 |
1.900000000000000e-12 |
-3.552713678800501e-14 |
PASS |
| Forces [step 1] |
-1.422367890290954e-02 |
-1.422367890290800e-02 |
1.860000000000000e-14 |
-1.542169170143382e-15 |
PASS |
| Forces [step 5] |
-7.618874990411140e-03 |
-7.618874990413800e-03 |
1.590000000000000e-14 |
2.660198450410434e-15 |
PASS |
| Forces [step 10] |
-9.391687584811681e-03 |
-9.391687584811126e-03 |
1.530000000000000e-14 |
-5.551115123125783e-16 |
PASS |
| Forces [step 15] |
-1.049280232292293e-02 |
-1.049280232292293e-02 |
1.910000000000000e-14 |
-3.469446951953614e-18 |
PASS |
| Forces [step 20] |
-9.513371027087825e-03 |
-9.513371027100001e-03 |
4.760000000000000e-12 |
1.217602407788121e-14 |
PASS |