Input 16-bomd.02-td.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2022a_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294269850e+01 -1.058171294371180e+01 1.110000000000000e-09 1.013301442753800e-09 PASS
Energy [step 2] -1.058156234751239e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285508588466655e-09 PASS
Energy [step 3] -1.058143100023473e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484872669266224e-09 PASS
Energy [step 4] -1.058131935619348e+01 -1.058131936040130e+01 4.630000000000000e-09 4.207818093959759e-09 PASS
Forces [step 1] -1.538554070055663e-01 -1.538555154672500e-01 1.190000000000000e-07 1.084616836621866e-07 PASS
Forces [step 2] -1.732298616200066e-01 -1.732297733830400e-01 9.710000000000000e-08 -8.823696662219049e-08 PASS
Forces [step 3] -1.918346851095741e-01 -1.918348057943300e-01 1.330000000000000e-07 1.206847558832269e-07 PASS
Forces [step 4] -2.092368788137623e-01 -2.092371340942830e-01 2.830000000000000e-07 2.552805207223230e-07 PASS
Compare to other inputs