Input 16-bomd.02-td.inp
Commits >
Commit fc620b07b8352e29314cbb5cb8516e7316f53ec5 >
Run intel_mpi_autotools: [intel2023a-mpi]
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] | -1.058158908201927e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | 1.217456357949231e-09 | PASS |
| Energy [step 3] | -1.058145773725854e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.509795038463380e-09 | PASS |
| Energy [step 4] | -1.058134609279378e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.578918660376075e-09 | PASS |
| Forces [step 1] | -1.538476408167124e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994208118608e-07 | PASS |
| Forces [step 2] | -1.732218447022546e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557445301844325e-08 | PASS |
| Forces [step 3] | -1.918261821141686e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.698184753957555e-07 | PASS |
| Forces [step 4] | -2.092289484991387e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | 1.339105070996549e-07 | PASS |