Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122525103050e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
-7.111600197617918e-09 |
PASS |
| Energy [step 2] |
-1.058224116957157e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
-6.923173145878536e-09 |
PASS |
| Energy [step 3] |
-1.058220090186361e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
-6.932907581358450e-09 |
PASS |
| Energy [step 4] |
-1.058217202403066e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
-7.807404500681514e-09 |
PASS |
| Forces [step 1] |
-2.249921734861743e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
8.570280707331790e-09 |
PASS |
| Forces [step 2] |
-2.378889064020842e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
3.747009813537261e-08 |
PASS |
| Forces [step 3] |
-2.490735720337554e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
3.740002598451309e-07 |
PASS |
| Forces [step 4] |
-2.574424652277891e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
1.279942578702453e-06 |
PASS |