Input 10-bomd.02-td.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_omp_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828877e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010830530390194e-09 | PASS |
| Energy [step 2] | -1.058158908445420e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217504319583895e-09 | PASS |
| Energy [step 3] | -1.058145774227825e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509889185375869e-09 | PASS |
| Energy [step 4] | -1.058134610389477e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.518769441437144e-09 | PASS |
| Forces [step 1] | -1.538478572155723e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994412677201e-07 | PASS |
| Forces [step 2] | -1.732216535539041e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557393118586610e-08 | PASS |
| Forces [step 3] | -1.918267217555277e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697878647150986e-07 | PASS |
| Forces [step 4] | -2.092292077123040e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -1.248638803741375e-07 | PASS |