Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680660e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112296529498963e-09 |
PASS |
| Energy [step 2] |
-1.058224115550385e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.144548064275114e-09 |
PASS |
| Energy [step 3] |
-1.058220088790326e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.027436410567134e-09 |
PASS |
| Energy [step 4] |
-1.058217201019650e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.026759535870951e-09 |
PASS |
| Forces [step 1] |
-2.249921906439133e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.587458327768971e-09 |
PASS |
| Forces [step 2] |
-2.378889667345525e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-2.286237016368986e-08 |
PASS |
| Forces [step 3] |
-2.490737563096439e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
1.897243712967178e-07 |
PASS |
| Forces [step 4] |
-2.574433027521243e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
4.424182434847879e-07 |
PASS |