Input 16-bomd.02-td.inp
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626709e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | 1.010835859460713e-09 | PASS |
| Energy [step 2] | -1.058158908201926e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | 1.217468792447107e-09 | PASS |
| Energy [step 3] | -1.058145773725898e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.509356278324049e-09 | PASS |
| Energy [step 4] | -1.058134609279467e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.578032258313215e-09 | PASS |
| Forces [step 1] | -1.538476408166982e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994350504711e-07 | PASS |
| Forces [step 2] | -1.732218447021928e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557439115126520e-08 | PASS |
| Forces [step 3] | -1.918261822126432e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.697200007784062e-07 | PASS |
| Forces [step 4] | -2.092289486023335e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | 1.338073123413608e-07 | PASS |