Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966626709e+01 |
-1.058173966727793e+01 |
1.110000000000000e-09 |
1.010837635817552e-09 |
PASS |
| Energy [step 2] |
-1.058158908201926e+01 |
-1.058158908323673e+01 |
1.340000000000000e-09 |
1.217470568803947e-09 |
PASS |
| Energy [step 3] |
-1.058145773725899e+01 |
-1.058145773976834e+01 |
2.760000000000000e-09 |
2.509345620183012e-09 |
PASS |
| Energy [step 4] |
-1.058134609279470e+01 |
-1.058134609837270e+01 |
6.140000000000000e-09 |
5.577996731176427e-09 |
PASS |
| Forces [step 1] |
-1.538476408166951e-01 |
-1.538477490161332e-01 |
1.190000000000000e-07 |
1.081994380758289e-07 |
PASS |
| Forces [step 2] |
-1.732218447021684e-01 |
-1.732217491278016e-01 |
1.050000000000000e-07 |
-9.557436680962539e-08 |
PASS |
| Forces [step 3] |
-1.918261822489841e-01 |
-1.918264519326440e-01 |
2.970000000000000e-07 |
2.696836598758967e-07 |
PASS |
| Forces [step 4] |
-2.092289486862960e-01 |
-2.092290824096458e-01 |
1.470000000000000e-07 |
1.337233497544776e-07 |
PASS |