Input 05-time_propagation.06-td_fast_md.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-3.791009280177371e+01 |
-3.791009280177380e+01 |
1.900000000000000e-12 |
9.237055564881302e-14 |
PASS |
| Energy [step 5] |
-3.790974154516920e+01 |
-3.790974154516920e+01 |
2.000000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Energy [step 10] |
-3.790950309455609e+01 |
-3.790950309455620e+01 |
1.900000000000000e-12 |
1.136868377216160e-13 |
PASS |
| Energy [step 15] |
-3.790933797735688e+01 |
-3.790933797735690e+01 |
1.900000000000000e-12 |
2.131628207280301e-14 |
PASS |
| Energy [step 20] |
-3.790917483206931e+01 |
-3.790917483206940e+01 |
1.900000000000000e-12 |
8.526512829121202e-14 |
PASS |
| Forces [step 1] |
-1.422367890292220e-02 |
-1.422367890290800e-02 |
2.910000000000000e-14 |
-1.419871165087017e-14 |
PASS |
| Forces [step 5] |
-7.618874990429569e-03 |
-7.618874990413800e-03 |
2.500000000000000e-14 |
-1.576950375836716e-14 |
PASS |
| Forces [step 10] |
-9.391687584824338e-03 |
-9.391687584811126e-03 |
2.300000000000000e-14 |
-1.321165399303936e-14 |
PASS |
| Forces [step 15] |
-1.049280232294003e-02 |
-1.049280232292293e-02 |
2.000000000000000e-14 |
-1.710090402617936e-14 |
PASS |
| Forces [step 20] |
-9.513371027094930e-03 |
-9.513371027100001e-03 |
4.760000000000000e-12 |
5.070596720280207e-15 |
PASS |