Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198717583e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.878748320422346e-09 |
PASS |
| Energy [step 2] |
-1.058226791345086e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.344080898974426e-09 |
PASS |
| Energy [step 3] |
-1.058222764038191e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-5.310642592348813e-09 |
PASS |
| Energy [step 4] |
-1.058219875805638e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-4.227363348263680e-09 |
PASS |
| Forces [step 1] |
-2.249842024237983e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.036673008547595e-08 |
PASS |
| Forces [step 2] |
-2.378810642349751e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.224951180767153e-07 |
PASS |
| Forces [step 3] |
-2.490664633506396e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
3.572865234502398e-07 |
PASS |
| Forces [step 4] |
-2.574377925683419e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
-4.862255033044605e-07 |
PASS |