Input 10-bomd.02-td.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828878e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010835859460713e-09 | PASS |
| Energy [step 2] | -1.058158908445418e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217477674231304e-09 | PASS |
| Energy [step 3] | -1.058145774227833e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509965568719963e-09 | PASS |
| Energy [step 4] | -1.058134610389367e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.517666323839876e-09 | PASS |
| Forces [step 1] | -1.538478572155725e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994414897647e-07 | PASS |
| Forces [step 2] | -1.732216535539355e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557389984982123e-08 | PASS |
| Forces [step 3] | -1.918267217651863e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697975232668348e-07 | PASS |
| Forces [step 4] | -2.092292079257098e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -1.250772862226857e-07 | PASS |