Input 16-bomd.02-td.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828873e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010802108680764e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217465239733428e-09 | PASS |
| Energy [step 3] | -1.058145774227678e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.508436125481239e-09 | PASS |
| Energy [step 4] | -1.058134610287885e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -4.506146566995994e-09 | PASS |
| Forces [step 1] | -1.538478572155713e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994380758289e-07 | PASS |
| Forces [step 2] | -1.732216535532792e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557452243513787e-08 | PASS |
| Forces [step 3] | -1.918267215643031e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.696316591110914e-07 | PASS |
| Forces [step 4] | -2.092290597804299e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | 2.262921589002431e-08 | PASS |