Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198716859e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.871507889944951e-09 |
PASS |
| Energy [step 2] |
-1.058226791345260e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.345818175963359e-09 |
PASS |
| Energy [step 3] |
-1.058222763989980e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-4.828528687994549e-09 |
PASS |
| Energy [step 4] |
-1.058219875689008e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-3.061057185504978e-09 |
PASS |
| Forces [step 1] |
-2.249842024095937e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.038093475069779e-08 |
PASS |
| Forces [step 2] |
-2.378810655534792e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.211766140485349e-07 |
PASS |
| Forces [step 3] |
-2.490662835050610e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
5.371321020186670e-07 |
PASS |
| Forces [step 4] |
-2.574379962023869e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
-6.898595482640602e-07 |
PASS |