Input 16-bomd.02-td.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run foss-parallel-debug: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626711e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | 1.010821648605997e-09 | PASS |
| Energy [step 2] | -1.058158908201927e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | 1.217458134306071e-09 | PASS |
| Energy [step 3] | -1.058145773725882e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.509517926796434e-09 | PASS |
| Energy [step 4] | -1.058134609279433e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.578375095183219e-09 | PASS |
| Forces [step 1] | -1.538476408166919e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994412954757e-07 | PASS |
| Forces [step 2] | -1.732218447021894e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557438776508498e-08 | PASS |
| Forces [step 3] | -1.918261822318352e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.697008087693131e-07 | PASS |
| Forces [step 4] | -2.092289487045405e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | 1.337051052652249e-07 | PASS |