Input 10-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] | -1.058173966626710e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | 1.010844741244910e-09 | PASS |
| Energy [step 2] | -1.058158908201926e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 1.217438594380837e-09 | PASS |
| Energy [step 3] | -1.058145773725893e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | 2.509434438024982e-09 | PASS |
| Energy [step 4] | -1.058134609279453e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | 5.581474837867972e-09 | PASS |
| Forces [step 1] | -1.538476408166994e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 1.081994315810242e-07 | PASS |
| Forces [step 2] | -1.732218447022133e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -9.557437799512236e-08 | PASS |
| Forces [step 3] | -1.918261821791831e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | 2.697884798896766e-07 | PASS |
| Forces [step 4] | -2.092289485400905e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | 1.343083330940242e-07 | PASS |