Input 10-bomd.02-td.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_debug_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010812766821800e-09 | PASS |
| Energy [step 2] | -1.058158908445420e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217495437799698e-09 | PASS |
| Energy [step 3] | -1.058145774227804e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509683127982498e-09 | PASS |
| Energy [step 4] | -1.058134610370223e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.326230123614550e-09 | PASS |
| Forces [step 1] | -1.538478572155718e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994407681197e-07 | PASS |
| Forces [step 2] | -1.732216535538054e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557402991244857e-08 | PASS |
| Forces [step 3] | -1.918267217275398e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697598767698040e-07 | PASS |
| Forces [step 4] | -2.092291796594616e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -9.681103796399526e-08 | PASS |