Input 10-bomd.02-td.inp
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626710e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | 1.010839412174391e-09 | PASS |
| Energy [step 2] | -1.058158908201927e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 1.217427936239801e-09 | PASS |
| Energy [step 3] | -1.058145773725892e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | 2.509437990738661e-09 | PASS |
| Energy [step 4] | -1.058134609279452e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | 5.581478390581651e-09 | PASS |
| Forces [step 1] | -1.538476408166960e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 1.081994349949600e-07 | PASS |
| Forces [step 2] | -1.732218447021847e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -9.557434935136833e-08 | PASS |
| Forces [step 3] | -1.918261822246144e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | 2.697430485365526e-07 | PASS |
| Forces [step 4] | -2.092289486545682e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | 1.341938553611755e-07 | PASS |