Input 16-bomd.02-td.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010821648605997e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217459910662910e-09 | PASS |
| Energy [step 3] | -1.058145774227810e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509764840397111e-09 | PASS |
| Energy [step 4] | -1.058134610396489e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.592193375036913e-09 | PASS |
| Forces [step 1] | -1.538478572155778e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994445706336e-07 | PASS |
| Forces [step 2] | -1.732216535538503e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557395133641400e-08 | PASS |
| Forces [step 3] | -1.918267217355068e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.698028628012050e-07 | PASS |
| Forces [step 4] | -2.092292182558259e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | -1.358461800549104e-07 | PASS |