Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680666e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112237909723262e-09 |
PASS |
| Energy [step 2] |
-1.058224115547017e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.178229566306982e-09 |
PASS |
| Energy [step 3] |
-1.058220088844151e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
6.489189630087822e-09 |
PASS |
| Energy [step 4] |
-1.058217201105206e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
5.171200356812733e-09 |
PASS |
| Forces [step 1] |
-2.249921906364589e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.580003874048003e-09 |
PASS |
| Forces [step 2] |
-2.378889622288531e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.835667082228376e-08 |
PASS |
| Forces [step 3] |
-2.490739857920067e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
-3.975799153788095e-08 |
PASS |
| Forces [step 4] |
-2.574434819571264e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
2.632132414248645e-07 |
PASS |