Input 16-bomd.02-td.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_min_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828876e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010826977676516e-09 | PASS |
| Energy [step 2] | -1.058158908445420e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217467016090268e-09 | PASS |
| Energy [step 3] | -1.058145774227819e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509853658239081e-09 | PASS |
| Energy [step 4] | -1.058134610393479e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.562089455679597e-09 | PASS |
| Forces [step 1] | -1.538478572155724e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994391860519e-07 | PASS |
| Forces [step 2] | -1.732216535538754e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557392624537364e-08 | PASS |
| Forces [step 3] | -1.918267217487553e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.698161112868469e-07 | PASS |
| Forces [step 4] | -2.092292136046348e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | -1.311949890114850e-07 | PASS |