Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680690e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.111994548836265e-09 |
PASS |
| Energy [step 2] |
-1.058224115547631e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.172085147999496e-09 |
PASS |
| Energy [step 3] |
-1.058220088750008e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
7.430617898762648e-09 |
PASS |
| Energy [step 4] |
-1.058217200942276e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
6.800496166192715e-09 |
PASS |
| Forces [step 1] |
-2.249921906391170e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.582662053280288e-09 |
PASS |
| Forces [step 2] |
-2.378889624430077e-01 |
-2.378889438721823e-01 |
5.830000000000000e-08 |
-1.857082543299526e-08 |
PASS |
| Forces [step 3] |
-2.490734988103145e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
4.472237007113744e-07 |
PASS |
| Forces [step 4] |
-2.574427535239825e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
9.916463852288615e-07 |
PASS |