Input 10-bomd.02-td.inp

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run intel_mpi_omp_autotools: [intel2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966626710e+01 -1.058173966727794e+01 1.110000000000000e-09 1.010841188531231e-09 PASS
Energy [step 2] -1.058158908201928e+01 -1.058158908323670e+01 1.340000000000000e-09 1.217419054455604e-09 PASS
Energy [step 3] -1.058145773725840e+01 -1.058145773976836e+01 2.760000000000000e-09 2.509960239649445e-09 PASS
Energy [step 4] -1.058134609279348e+01 -1.058134609837600e+01 6.140000000000000e-09 5.582515782975861e-09 PASS
Forces [step 1] -1.538476408167188e-01 -1.538477490161310e-01 1.190000000000000e-07 1.081994121798768e-07 PASS
Forces [step 2] -1.732218447022173e-01 -1.732217491278353e-01 1.050000000000000e-07 -9.557438196416967e-08 PASS
Forces [step 3] -1.918261822240536e-01 -1.918264519676630e-01 2.970000000000000e-07 2.697436093379579e-07 PASS
Forces [step 4] -2.092289488209503e-01 -2.092290828484236e-01 1.480000000000000e-07 1.340274733141467e-07 PASS
Compare to other inputs