Input 16-bomd.02-td.inp
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss_cmake: [foss2022a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010825201319676e-09 | PASS |
| Energy [step 2] | -1.058158908445420e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217470568803947e-09 | PASS |
| Energy [step 3] | -1.058145774227813e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509795038463380e-09 | PASS |
| Energy [step 4] | -1.058134610395797e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.585265583363253e-09 | PASS |
| Forces [step 1] | -1.538478572155775e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994443208334e-07 | PASS |
| Forces [step 2] | -1.732216535538522e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557394936576813e-08 | PASS |
| Forces [step 3] | -1.918267217380652e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.698054211713874e-07 | PASS |
| Forces [step 4] | -2.092292170777135e-01 | -2.092290933047166e-01 | 1.590000000000000e-07 | -1.237729968794898e-07 | PASS |