Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680667e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112229027939065e-09 |
PASS |
| Energy [step 2] |
-1.058224115555232e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.096076615198399e-09 |
PASS |
| Energy [step 3] |
-1.058220088767599e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
7.254714162741038e-09 |
PASS |
| Energy [step 4] |
-1.058217200948401e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
6.739252711440713e-09 |
PASS |
| Forces [step 1] |
-2.249921906485696e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.592114575378673e-09 |
PASS |
| Forces [step 2] |
-2.378889753510476e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-3.147886526444488e-08 |
PASS |
| Forces [step 3] |
-2.490733023014801e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
6.437325350550083e-07 |
PASS |
| Forces [step 4] |
-2.574439176661116e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-1.724957437998498e-07 |
PASS |