Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122525102685e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
-7.107948007956111e-09 |
PASS |
| Energy [step 2] |
-1.058224116952194e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
-6.873545288499372e-09 |
PASS |
| Energy [step 3] |
-1.058220090194102e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
-7.010317659705834e-09 |
PASS |
| Energy [step 4] |
-1.058217202424917e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
-8.025912379139299e-09 |
PASS |
| Forces [step 1] |
-2.249921734800551e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
8.576399868065465e-09 |
PASS |
| Forces [step 2] |
-2.378889002510018e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
4.362118047329666e-08 |
PASS |
| Forces [step 3] |
-2.490738242911960e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
1.217428191591097e-07 |
PASS |
| Forces [step 4] |
-2.574430508722498e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
6.942981179425267e-07 |
PASS |