Input 10-bomd.02-td.inp

Commits > Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 > Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966626709e+01 -1.058173966727794e+01 1.110000000000000e-09 1.010846517601749e-09 PASS
Energy [step 2] -1.058158908201925e+01 -1.058158908323670e+01 1.340000000000000e-09 1.217445699808195e-09 PASS
Energy [step 3] -1.058145773725887e+01 -1.058145773976836e+01 2.760000000000000e-09 2.509487728730164e-09 PASS
Energy [step 4] -1.058134609279443e+01 -1.058134609837600e+01 6.140000000000000e-09 5.581570761137300e-09 PASS
Forces [step 1] -1.538476408166991e-01 -1.538477490161310e-01 1.190000000000000e-07 1.081994319140911e-07 PASS
Forces [step 2] -1.732218447021981e-01 -1.732217491278353e-01 1.050000000000000e-07 -9.557436278506692e-08 PASS
Forces [step 3] -1.918261822132040e-01 -1.918264519676630e-01 2.970000000000000e-07 2.697544590202217e-07 PASS
Forces [step 4] -2.092289486391039e-01 -2.092290828484236e-01 1.480000000000000e-07 1.342093196576855e-07 PASS
Compare to other inputs