Input 10-bomd.02-td.inp

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966626710e+01 -1.058173966727794e+01 1.110000000000000e-09 1.010844741244910e-09 PASS
Energy [step 2] -1.058158908201927e+01 -1.058158908323670e+01 1.340000000000000e-09 1.217433265310319e-09 PASS
Energy [step 3] -1.058145773725856e+01 -1.058145773976836e+01 2.760000000000000e-09 2.509798591177059e-09 PASS
Energy [step 4] -1.058134609279380e+01 -1.058134609837600e+01 6.140000000000000e-09 5.582199591458448e-09 PASS
Forces [step 1] -1.538476408167164e-01 -1.538477490161310e-01 1.190000000000000e-07 1.081994145668563e-07 PASS
Forces [step 2] -1.732218447022177e-01 -1.732217491278353e-01 1.050000000000000e-07 -9.557438238050331e-08 PASS
Forces [step 3] -1.918261821854111e-01 -1.918264519676630e-01 2.970000000000000e-07 2.697822518715753e-07 PASS
Forces [step 4] -2.092289486722519e-01 -2.092290828484236e-01 1.480000000000000e-07 1.341761716455725e-07 PASS
Compare to other inputs