Input 10-bomd.02-td.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626709e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | 1.010851846672267e-09 | PASS |
| Energy [step 2] | -1.058158908201927e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 1.217429712596640e-09 | PASS |
| Energy [step 3] | -1.058145773725888e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | 2.509484176016485e-09 | PASS |
| Energy [step 4] | -1.058134609279444e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | 5.581558326639424e-09 | PASS |
| Forces [step 1] | -1.538476408166984e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 1.081994325802249e-07 | PASS |
| Forces [step 2] | -1.732218447021970e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -9.557436167484390e-08 | PASS |
| Forces [step 3] | -1.918261822134490e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | 2.697542139384890e-07 | PASS |
| Forces [step 4] | -2.092289486376847e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | 1.342107388557778e-07 | PASS |