Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680687e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112033628686731e-09 |
PASS |
| Energy [step 2] |
-1.058224115549483e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.153566627948749e-09 |
PASS |
| Energy [step 3] |
-1.058220088791868e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.012017633201140e-09 |
PASS |
| Energy [step 4] |
-1.058217201023167e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
5.991592999521345e-09 |
PASS |
| Forces [step 1] |
-2.249921906302883e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.573833309988288e-09 |
PASS |
| Forces [step 2] |
-2.378889696476755e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-2.577549323978801e-08 |
PASS |
| Forces [step 3] |
-2.490735149187421e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
4.311152730918089e-07 |
PASS |
| Forces [step 4] |
-2.574443171260260e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-5.719556582239882e-07 |
PASS |