Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122525102786e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
-7.108962307711408e-09 |
PASS |
| Energy [step 2] |
-1.058224116961740e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
-6.969004928691902e-09 |
PASS |
| Energy [step 3] |
-1.058220090201460e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
-7.083899689064310e-09 |
PASS |
| Energy [step 4] |
-1.058217202440462e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
-8.181359589798376e-09 |
PASS |
| Forces [step 1] |
-2.249921734690114e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
8.587443589558319e-09 |
PASS |
| Forces [step 2] |
-2.378889243296275e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
1.954255476888100e-08 |
PASS |
| Forces [step 3] |
-2.490744514764604e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
-5.054424452310968e-07 |
PASS |
| Forces [step 4] |
-2.574436150450063e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
1.301253614305331e-07 |
PASS |