Input 10-bomd.03-td_restart.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198646847e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.171394145188970e-09 | PASS |
| Energy [step 2] | -1.058226791352883e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.422046977012542e-09 | PASS |
| Energy [step 3] | -1.058222764330490e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -8.233628889797728e-09 | PASS |
| Energy [step 4] | -1.058219876277278e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -8.943761287127927e-09 | PASS |
| Forces [step 1] | -2.249842027942648e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 9.996263650169368e-09 | PASS |
| Forces [step 2] | -2.378812300259839e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -4.329589070595219e-08 | PASS |
| Forces [step 3] | -2.490670308659091e-01 | -2.490668206371630e-01 | 1.070000000000000e-06 | -2.102287460781227e-07 | PASS |
| Forces [step 4] | -2.574380412851744e-01 | -2.574373063428386e-01 | 1.840000000000000e-06 | -7.349423358227192e-07 | PASS |