Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198717865e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.881570951440153e-09 |
PASS |
| Energy [step 2] |
-1.058226791345527e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.348486263936138e-09 |
PASS |
| Energy [step 3] |
-1.058222764033977e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-5.268496749977203e-09 |
PASS |
| Energy [step 4] |
-1.058219875783962e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-4.010598075865346e-09 |
PASS |
| Forces [step 1] |
-2.249842024220610e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.036846736246488e-08 |
PASS |
| Forces [step 2] |
-2.378810644749384e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.222551548329953e-07 |
PASS |
| Forces [step 3] |
-2.490664456023956e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
3.750347673803223e-07 |
PASS |
| Forces [step 4] |
-2.574370915664247e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
2.147764139315278e-07 |
PASS |