Input 16-bomd.02-td.inp

Commits > Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966626709e+01 -1.058173966727793e+01 1.110000000000000e-09 1.010837635817552e-09 PASS
Energy [step 2] -1.058158908201927e+01 -1.058158908323673e+01 1.340000000000000e-09 1.217456357949231e-09 PASS
Energy [step 3] -1.058145773725854e+01 -1.058145773976834e+01 2.760000000000000e-09 2.509795038463380e-09 PASS
Energy [step 4] -1.058134609279378e+01 -1.058134609837270e+01 6.140000000000000e-09 5.578918660376075e-09 PASS
Forces [step 1] -1.538476408167124e-01 -1.538477490161332e-01 1.190000000000000e-07 1.081994208118608e-07 PASS
Forces [step 2] -1.732218447022546e-01 -1.732217491278016e-01 1.050000000000000e-07 -9.557445301844325e-08 PASS
Forces [step 3] -1.918261821141686e-01 -1.918264519326440e-01 2.970000000000000e-07 2.698184753957555e-07 PASS
Forces [step 4] -2.092289484991387e-01 -2.092290824096458e-01 1.470000000000000e-07 1.339105070996549e-07 PASS
Compare to other inputs