Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138826e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908814936286035e-09 |
PASS |
| Energy [step 2] |
-1.058226789868561e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.421173009447557e-09 |
PASS |
| Energy [step 3] |
-1.058222762694828e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
8.122990280412523e-09 |
PASS |
| Energy [step 4] |
-1.058219874509448e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.734540202226526e-09 |
PASS |
| Forces [step 1] |
-2.249842232055611e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041503269738620e-08 |
PASS |
| Forces [step 2] |
-2.378813085242105e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.217941172915182e-07 |
PASS |
| Forces [step 3] |
-2.490666181868488e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
2.024503142350476e-07 |
PASS |
| Forces [step 4] |
-2.574361926618446e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
1.113680993980459e-06 |
PASS |