Input 10-bomd.02-td.inp
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828878e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010837635817552e-09 | PASS |
| Energy [step 2] | -1.058158908445420e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217498990513377e-09 | PASS |
| Energy [step 3] | -1.058145774227835e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509985108645196e-09 | PASS |
| Energy [step 4] | -1.058134610389379e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.517794221532313e-09 | PASS |
| Forces [step 1] | -1.538478572155728e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994417950760e-07 | PASS |
| Forces [step 2] | -1.732216535539427e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557389263337157e-08 | PASS |
| Forces [step 3] | -1.918267217655915e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697979285259944e-07 | PASS |
| Forces [step 4] | -2.092292079161169e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -1.250676932851302e-07 | PASS |