Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680657e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112324951208393e-09 |
PASS |
| Energy [step 2] |
-1.058224115547017e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.178231342663821e-09 |
PASS |
| Energy [step 3] |
-1.058220088843331e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
6.497391069615333e-09 |
PASS |
| Energy [step 4] |
-1.058217201127031e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
4.952950050096661e-09 |
PASS |
| Forces [step 1] |
-2.249921906359020e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.579447013934427e-09 |
PASS |
| Forces [step 2] |
-2.378889624749758e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.860279355558880e-08 |
PASS |
| Forces [step 3] |
-2.490739103504419e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
3.568357334615690e-08 |
PASS |
| Forces [step 4] |
-2.574437154254685e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
2.974489926588220e-08 |
PASS |