Input 10-bomd.02-td.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
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] | -1.058158908201928e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 1.217419054455604e-09 | PASS |
| Energy [step 3] | -1.058145773725895e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | 2.509406016315552e-09 | PASS |
| Energy [step 4] | -1.058134609279463e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | 5.581370032814448e-09 | PASS |
| Forces [step 1] | -1.538476408166946e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 1.081994364104943e-07 | PASS |
| Forces [step 2] | -1.732218447022139e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -9.557437863350060e-08 | PASS |
| Forces [step 3] | -1.918261821622799e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | 2.698053830629821e-07 | PASS |
| Forces [step 4] | -2.092289484829424e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | 1.343654812135942e-07 | PASS |