Input 10-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966518177e+01 |
-1.058173966727794e+01 |
1.110000000000000e-09 |
2.096166795695353e-09 |
FAIL |
| Energy [step 2] |
-1.058158908088516e+01 |
-1.058158908323670e+01 |
1.340000000000000e-09 |
2.351542960354891e-09 |
FAIL |
| Energy [step 3] |
-1.058145774185947e+01 |
-1.058145773976836e+01 |
2.760000000000000e-09 |
-2.091109507773581e-09 |
PASS |
| Energy [step 4] |
-1.058134610345839e+01 |
-1.058134609837600e+01 |
6.140000000000000e-09 |
-5.082393172983757e-09 |
PASS |
| Forces [step 1] |
-1.538475246426456e-01 |
-1.538477490161310e-01 |
1.190000000000000e-07 |
2.243734854023849e-07 |
FAIL |
| Forces [step 2] |
-1.732219674654133e-01 |
-1.732217491278353e-01 |
1.050000000000000e-07 |
-2.183375779896135e-07 |
FAIL |
| Forces [step 3] |
-1.918267860231913e-01 |
-1.918264519676630e-01 |
2.970000000000000e-07 |
-3.340555283504187e-07 |
FAIL |
| Forces [step 4] |
-2.092291609021825e-01 |
-2.092290828484236e-01 |
1.480000000000000e-07 |
-7.805375895619804e-08 |
PASS |