Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122525104036e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
-7.121460754433429e-09 |
PASS |
| Energy [step 2] |
-1.058224116976945e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
-7.121046863289848e-09 |
PASS |
| Energy [step 3] |
-1.058220090241464e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
-7.483935249297247e-09 |
PASS |
| Energy [step 4] |
-1.058217202494872e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
-8.725457689706673e-09 |
PASS |
| Forces [step 1] |
-2.249921734554478e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
8.601007212005740e-09 |
PASS |
| Forces [step 2] |
-2.378889560666237e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.219444142885884e-08 |
PASS |
| Forces [step 3] |
-2.490735489243177e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
3.971096975141641e-07 |
PASS |
| Forces [step 4] |
-2.574438526482651e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-1.074778973042534e-07 |
PASS |