Input 16-bomd.02-td.inp
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626710e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | 1.010830530390194e-09 | PASS |
| Energy [step 2] | -1.058158908201927e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | 1.217461687019750e-09 | PASS |
| Energy [step 3] | -1.058145773725891e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.509430885311303e-09 | PASS |
| Energy [step 4] | -1.058134609279452e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.578177919574046e-09 | PASS |
| Forces [step 1] | -1.538476408166990e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994341622927e-07 | PASS |
| Forces [step 2] | -1.732218447022041e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557440250329563e-08 | PASS |
| Forces [step 3] | -1.918261821960184e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.697366256187994e-07 | PASS |
| Forces [step 4] | -2.092289485829935e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | 1.338266522876719e-07 | PASS |