Input 10-bomd.02-td.inp
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626710e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | 1.010841188531231e-09 | PASS |
| Energy [step 2] | -1.058158908201926e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 1.217443923451356e-09 | PASS |
| Energy [step 3] | -1.058145773725884e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | 2.509525032223792e-09 | PASS |
| Energy [step 4] | -1.058134609279439e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | 5.581608064630927e-09 | PASS |
| Forces [step 1] | -1.538476408166951e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 1.081994358553828e-07 | PASS |
| Forces [step 2] | -1.732218447022287e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -9.557439337171125e-08 | PASS |
| Forces [step 3] | -1.918261821543224e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | 2.698133405865111e-07 | PASS |
| Forces [step 4] | -2.092289484995224e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | 1.343489012262111e-07 | PASS |