Input 10-bomd.02-td.inp

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294269850e+01 -1.058171294371180e+01 1.110000000000000e-09 1.013303219110639e-09 PASS
Energy [step 2] -1.058156234751240e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285505035752976e-09 PASS
Energy [step 3] -1.058143100023474e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484863787482027e-09 PASS
Energy [step 4] -1.058131935619353e+01 -1.058131936040130e+01 4.630000000000000e-09 4.207773685038774e-09 PASS
Forces [step 1] -1.538554070055678e-01 -1.538555154672571e-01 1.190000000000000e-07 1.084616893243240e-07 PASS
Forces [step 2] -1.732298616199944e-01 -1.732297733830663e-01 9.710000000000000e-08 -8.823692812520711e-08 PASS
Forces [step 3] -1.918346851138255e-01 -1.918348057889193e-01 1.330000000000000e-07 1.206750938065326e-07 PASS
Forces [step 4] -2.092368791573992e-01 -2.092371333696214e-01 2.830000000000000e-07 2.542122222448651e-07 PASS
Compare to other inputs