Input 16-bomd.02-td.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_opt_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828876e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010830530390194e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217459910662910e-09 | PASS |
| Energy [step 3] | -1.058145774227816e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509823460172811e-09 | PASS |
| Energy [step 4] | -1.058134610394440e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.571697769823913e-09 | PASS |
| Forces [step 1] | -1.538478572155719e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994386864515e-07 | PASS |
| Forces [step 2] | -1.732216535538625e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557393909620515e-08 | PASS |
| Forces [step 3] | -1.918267217439416e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.698112975541012e-07 | PASS |
| Forces [step 4] | -2.092292150131596e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | -1.326035138082826e-07 | PASS |