Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198717641e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.879329189108830e-09 |
PASS |
| Energy [step 2] |
-1.058226791345225e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.345464680952318e-09 |
PASS |
| Energy [step 3] |
-1.058222764033829e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-5.267020597443661e-09 |
PASS |
| Energy [step 4] |
-1.058219875772635e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-3.897328682000989e-09 |
PASS |
| Forces [step 1] |
-2.249842024231868e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.036734159631791e-08 |
PASS |
| Forces [step 2] |
-2.378810645973199e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.221327733391675e-07 |
PASS |
| Forces [step 3] |
-2.490664630529646e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
3.575841984460038e-07 |
PASS |
| Forces [step 4] |
-2.574368916161835e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
4.147266550735829e-07 |
PASS |