Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122525102607e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
-7.107175292730972e-09 |
PASS |
| Energy [step 2] |
-1.058224116954098e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
-6.892584281104064e-09 |
PASS |
| Energy [step 3] |
-1.058220090157205e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
-6.641354133307686e-09 |
PASS |
| Energy [step 4] |
-1.058217202363781e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
-7.414550751150273e-09 |
PASS |
| Forces [step 1] |
-2.249921734856511e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
8.570803872176569e-09 |
PASS |
| Forces [step 2] |
-2.378889020883620e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
4.178382029262906e-08 |
PASS |
| Forces [step 3] |
-2.490738027804357e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
1.432535794709811e-07 |
PASS |
| Forces [step 4] |
-2.574435129613592e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
2.322090085771222e-07 |
PASS |