Input 10-bomd.02-td.inp

Commits > Commit 6099f031302cffa2938f492784ba2f7b55faffa3 > Run foss_mpi_opt_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966626710e+01 -1.058173966727794e+01 1.110000000000000e-09 1.010842964888070e-09 PASS
Energy [step 2] -1.058158908201927e+01 -1.058158908323670e+01 1.340000000000000e-09 1.217429712596640e-09 PASS
Energy [step 3] -1.058145773725892e+01 -1.058145773976836e+01 2.760000000000000e-09 2.509445096166019e-09 PASS
Energy [step 4] -1.058134609279451e+01 -1.058134609837600e+01 6.140000000000000e-09 5.581487272365848e-09 PASS
Forces [step 1] -1.538476408166926e-01 -1.538477490161310e-01 1.190000000000000e-07 1.081994384366514e-07 PASS
Forces [step 2] -1.732218447022103e-01 -1.732217491278353e-01 1.050000000000000e-07 -9.557437499752020e-08 PASS
Forces [step 3] -1.918261821772995e-01 -1.918264519676630e-01 2.970000000000000e-07 2.697903634940602e-07 PASS
Forces [step 4] -2.092289485401930e-01 -2.092290828484236e-01 1.480000000000000e-07 1.343082305926835e-07 PASS
Compare to other inputs