Input 10-bomd.02-td.inp

Commits > Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc > Run cmake_foss_2022a_full_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294269850e+01 -1.058171294371180e+01 1.110000000000000e-09 1.013297890040121e-09 PASS
Energy [step 2] -1.058156234751240e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285499706682458e-09 PASS
Energy [step 3] -1.058143100023472e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484881551050421e-09 PASS
Energy [step 4] -1.058131935619351e+01 -1.058131936040130e+01 4.630000000000000e-09 4.207793224964007e-09 PASS
Forces [step 1] -1.538554070055690e-01 -1.538555154672571e-01 1.190000000000000e-07 1.084616880475675e-07 PASS
Forces [step 2] -1.732298616200023e-01 -1.732297733830663e-01 9.710000000000000e-08 -8.823693600779059e-08 PASS
Forces [step 3] -1.918346851106630e-01 -1.918348057889193e-01 1.330000000000000e-07 1.206782562490627e-07 PASS
Forces [step 4] -2.092368789091335e-01 -2.092371333696214e-01 2.830000000000000e-07 2.544604878751411e-07 PASS
Compare to other inputs