Input 10-bomd.02-td.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_omp_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828876e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010823424962837e-09 | PASS |
| Energy [step 2] | -1.058158908445421e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217513201368092e-09 | PASS |
| Energy [step 3] | -1.058145774227822e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509858987309599e-09 | PASS |
| Energy [step 4] | -1.058134610392944e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.553435045158039e-09 | PASS |
| Forces [step 1] | -1.538478572155718e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994407958753e-07 | PASS |
| Forces [step 2] | -1.732216535538841e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557395122539170e-08 | PASS |
| Forces [step 3] | -1.918267217519773e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697843143328882e-07 | PASS |
| Forces [step 4] | -2.092292129825849e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -1.301341612802709e-07 | PASS |