Input 10-bomd.02-td.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294269851e+01 -1.058171294371180e+01 1.110000000000000e-09 1.013290784612764e-09 PASS
Energy [step 2] -1.058156234751242e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285481943114064e-09 PASS
Energy [step 3] -1.058143100023474e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484865563838866e-09 PASS
Energy [step 4] -1.058131935619325e+01 -1.058131936040130e+01 4.630000000000000e-09 4.208054349419399e-09 PASS
Forces [step 1] -1.538554070055791e-01 -1.538555154672571e-01 1.190000000000000e-07 1.084616779722936e-07 PASS
Forces [step 2] -1.732298616200428e-01 -1.732297733830663e-01 9.710000000000000e-08 -8.823697653093099e-08 PASS
Forces [step 3] -1.918346850936346e-01 -1.918348057889193e-01 1.330000000000000e-07 1.206952847110365e-07 PASS
Forces [step 4] -2.092368774696562e-01 -2.092371333696214e-01 2.830000000000000e-07 2.558999651625093e-07 PASS
Compare to other inputs