Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680656e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112342714776787e-09 |
PASS |
| Energy [step 2] |
-1.058224115550475e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.143652780428056e-09 |
PASS |
| Energy [step 3] |
-1.058220088798750e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
6.943201569242774e-09 |
PASS |
| Energy [step 4] |
-1.058217201013508e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.088180626306894e-09 |
PASS |
| Forces [step 1] |
-2.249921906440410e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.587586003416803e-09 |
PASS |
| Forces [step 2] |
-2.378889668922000e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-2.302001772536144e-08 |
PASS |
| Forces [step 3] |
-2.490736955441149e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
2.504899002664374e-07 |
PASS |
| Forces [step 4] |
-2.574437906916959e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-4.552132815138776e-08 |
PASS |