Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680696e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.111937705417404e-09 |
PASS |
| Energy [step 2] |
-1.058224115549790e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.150500636043944e-09 |
PASS |
| Energy [step 3] |
-1.058220088777220e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.158501347248603e-09 |
PASS |
| Energy [step 4] |
-1.058217200997002e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.253234374753447e-09 |
PASS |
| Forces [step 1] |
-2.249921906428261e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.586371114116531e-09 |
PASS |
| Forces [step 2] |
-2.378889656699213e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-2.179773897492687e-08 |
PASS |
| Forces [step 3] |
-2.490740035229889e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
-5.748897366486538e-08 |
PASS |
| Forces [step 4] |
-2.574440167847503e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-2.716143825409745e-07 |
PASS |