Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680683e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112065603109841e-09 |
PASS |
| Energy [step 2] |
-1.058224115551831e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.130084966888717e-09 |
PASS |
| Energy [step 3] |
-1.058220088810831e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
6.822393316952002e-09 |
PASS |
| Energy [step 4] |
-1.058217201047157e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
5.751687126576144e-09 |
PASS |
| Forces [step 1] |
-2.249921906452995e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.588844552237518e-09 |
PASS |
| Forces [step 2] |
-2.378889691921179e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-2.531993562038259e-08 |
PASS |
| Forces [step 3] |
-2.490738806051335e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
6.542888170146810e-08 |
PASS |
| Forces [step 4] |
-2.574435978362676e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
1.473341001423378e-07 |
PASS |