Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138813e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908951715762669e-09 |
PASS |
| Energy [step 2] |
-1.058226789868545e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.421332881563103e-09 |
PASS |
| Energy [step 3] |
-1.058222762693010e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
8.141167739950106e-09 |
PASS |
| Energy [step 4] |
-1.058219874505162e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.777400140047575e-09 |
PASS |
| Forces [step 1] |
-2.249842232057842e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041525574119184e-08 |
PASS |
| Forces [step 2] |
-2.378813084986010e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.217685077492536e-07 |
PASS |
| Forces [step 3] |
-2.490666104849226e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
2.101522403874512e-07 |
PASS |
| Forces [step 4] |
-2.574371111552738e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
1.951875648331658e-07 |
PASS |