Input 10-bomd.02-td.inp

Commits > Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 > Run foss_cmake: [foss2023a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966626710e+01 -1.058173966727794e+01 1.110000000000000e-09 1.010839412174391e-09 PASS
Energy [step 2] -1.058158908201927e+01 -1.058158908323670e+01 1.340000000000000e-09 1.217427936239801e-09 PASS
Energy [step 3] -1.058145773725892e+01 -1.058145773976836e+01 2.760000000000000e-09 2.509437990738661e-09 PASS
Energy [step 4] -1.058134609279452e+01 -1.058134609837600e+01 6.140000000000000e-09 5.581478390581651e-09 PASS
Forces [step 1] -1.538476408166960e-01 -1.538477490161310e-01 1.190000000000000e-07 1.081994349949600e-07 PASS
Forces [step 2] -1.732218447021847e-01 -1.732217491278353e-01 1.050000000000000e-07 -9.557434935136833e-08 PASS
Forces [step 3] -1.918261822246144e-01 -1.918264519676630e-01 2.970000000000000e-07 2.697430485365526e-07 PASS
Forces [step 4] -2.092289486545682e-01 -2.092290828484236e-01 1.480000000000000e-07 1.341938553611755e-07 PASS
Compare to other inputs