Input 10-bomd.02-td.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run intel_omp_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828877e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010832306747034e-09 | PASS |
| Energy [step 2] | -1.058158908445421e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217513201368092e-09 | PASS |
| Energy [step 3] | -1.058145774227805e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509688457053016e-09 | PASS |
| Energy [step 4] | -1.058134610369444e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.318437246160101e-09 | PASS |
| Forces [step 1] | -1.538478572155734e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994423779431e-07 | PASS |
| Forces [step 2] | -1.732216535538244e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557401089987927e-08 | PASS |
| Forces [step 3] | -1.918267217313287e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697636657111868e-07 | PASS |
| Forces [step 4] | -2.092291787121261e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -9.586370253167331e-08 | PASS |