Input 10-bomd.02-td.inp
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010810990464961e-09 | PASS |
| Energy [step 2] | -1.058158908445418e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217481226944983e-09 | PASS |
| Energy [step 3] | -1.058145774227812e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509757734969753e-09 | PASS |
| Energy [step 4] | -1.058134610395946e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.583459028457582e-09 | PASS |
| Forces [step 1] | -1.538478572155778e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994468188352e-07 | PASS |
| Forces [step 2] | -1.732216535538449e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557399038850889e-08 | PASS |
| Forces [step 3] | -1.918267217375186e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697698556208827e-07 | PASS |
| Forces [step 4] | -2.092292173409877e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -1.344925640855976e-07 | PASS |