Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122525102807e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
-7.109175470532136e-09 |
PASS |
| Energy [step 2] |
-1.058224116960196e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
-6.953559505973317e-09 |
PASS |
| Energy [step 3] |
-1.058220090189977e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
-6.969070653894960e-09 |
PASS |
| Energy [step 4] |
-1.058217202419417e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
-7.970911042320949e-09 |
PASS |
| Forces [step 1] |
-2.249921734703877e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
8.586067301585842e-09 |
PASS |
| Forces [step 2] |
-2.378889206731915e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
2.319899081171251e-08 |
PASS |
| Forces [step 3] |
-2.490735032628795e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
4.427711356724817e-07 |
PASS |
| Forces [step 4] |
-2.574435290030567e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
2.161673111067408e-07 |
PASS |