Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680661e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112292976785284e-09 |
PASS |
| Energy [step 2] |
-1.058224115549621e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.152193504111892e-09 |
PASS |
| Energy [step 3] |
-1.058220088779369e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.137007429491860e-09 |
PASS |
| Energy [step 4] |
-1.058217201000935e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.213907610685965e-09 |
PASS |
| Forces [step 1] |
-2.249921906429210e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.586466038185137e-09 |
PASS |
| Forces [step 2] |
-2.378889654526070e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-2.158042469724286e-08 |
PASS |
| Forces [step 3] |
-2.490740421840492e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
-9.615003401797217e-08 |
PASS |
| Forces [step 4] |
-2.574434876781516e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
2.574922161602267e-07 |
PASS |