Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138847e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908612431606343e-09 |
PASS |
| Energy [step 2] |
-1.058226789868748e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.419297176625150e-09 |
PASS |
| Energy [step 3] |
-1.058222762715167e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
7.919600975014873e-09 |
PASS |
| Energy [step 4] |
-1.058219874545334e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.375675264460369e-09 |
PASS |
| Forces [step 1] |
-2.249842232040618e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041353334119144e-08 |
PASS |
| Forces [step 2] |
-2.378813093164871e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.225863939247063e-07 |
PASS |
| Forces [step 3] |
-2.490656780802529e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
1.142556910138648e-06 |
PASS |
| Forces [step 4] |
-2.574368095838970e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
4.967589416482454e-07 |
PASS |