Input 05-time_propagation.06-td_fast_md.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-3.791009280177394e+01 |
-3.791009280177380e+01 |
1.900000000000000e-12 |
-1.421085471520200e-13 |
PASS |
| Energy [step 5] |
-3.790974154516935e+01 |
-3.790974154516920e+01 |
2.000000000000000e-13 |
-1.492139745096210e-13 |
PASS |
| Energy [step 10] |
-3.790950309455623e+01 |
-3.790950309455620e+01 |
1.900000000000000e-12 |
-2.842170943040401e-14 |
PASS |
| Energy [step 15] |
-3.790933797735698e+01 |
-3.790933797735690e+01 |
1.900000000000000e-12 |
-8.526512829121202e-14 |
PASS |
| Energy [step 20] |
-3.790917483206946e+01 |
-3.790917483206940e+01 |
1.900000000000000e-12 |
-6.394884621840902e-14 |
PASS |
| Forces [step 1] |
-1.422367890291776e-02 |
-1.422367890292098e-02 |
3.190000000000000e-14 |
3.223116218364908e-15 |
PASS |
| Forces [step 5] |
-7.618874990422464e-03 |
-7.618874990413800e-03 |
4.420000000000000e-14 |
-8.664076400766163e-15 |
PASS |
| Forces [step 10] |
-9.391687584816344e-03 |
-9.391687584811126e-03 |
3.720000000000000e-14 |
-5.218048215738236e-15 |
PASS |
| Forces [step 15] |
-1.049280232292893e-02 |
-1.049280232292293e-02 |
3.980000000000000e-14 |
-5.998673779927799e-15 |
PASS |
| Forces [step 20] |
-9.513371027086492e-03 |
-9.513371027100001e-03 |
4.760000000000000e-12 |
1.350829170743140e-14 |
PASS |