Input 16-bomd.02-td.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626710e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | 1.010826977676516e-09 | PASS |
| Energy [step 2] | -1.058158908201928e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | 1.217447476165034e-09 | PASS |
| Energy [step 3] | -1.058145773725833e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.510009977640948e-09 | PASS |
| Energy [step 4] | -1.058134609279336e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.579336104233334e-09 | PASS |
| Forces [step 1] | -1.538476408167088e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994244200857e-07 | PASS |
| Forces [step 2] | -1.732218447022659e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557446425945137e-08 | PASS |
| Forces [step 3] | -1.918261821112060e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.698214379703856e-07 | PASS |
| Forces [step 4] | -2.092289485553176e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | 1.338543281770299e-07 | PASS |