Input 16-bomd.02-td.inp
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626710e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | 1.010832306747034e-09 | PASS |
| Energy [step 2] | -1.058158908201926e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | 1.217467016090268e-09 | PASS |
| Energy [step 3] | -1.058145773725889e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.509453977950216e-09 | PASS |
| Energy [step 4] | -1.058134609279449e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.578209893997155e-09 | PASS |
| Forces [step 1] | -1.538476408166967e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994364660055e-07 | PASS |
| Forces [step 2] | -1.732218447022022e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557440058816091e-08 | PASS |
| Forces [step 3] | -1.918261821969343e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.697357097125597e-07 | PASS |
| Forces [step 4] | -2.092289485922112e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | 1.338174345777432e-07 | PASS |