Input 16-bomd.02-td.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > 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 1.013297890040121e-09 PASS
Energy [step 2] -1.058156234751239e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285508588466655e-09 PASS
Energy [step 3] -1.058143100023475e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484847800270472e-09 PASS
Energy [step 4] -1.058131935619349e+01 -1.058131936040130e+01 4.630000000000000e-09 4.207810988532401e-09 PASS
Forces [step 1] -1.538554070055697e-01 -1.538555154672500e-01 1.190000000000000e-07 1.084616802482508e-07 PASS
Forces [step 2] -1.732298616200182e-01 -1.732297733830400e-01 9.710000000000000e-08 -8.823697816850995e-08 PASS
Forces [step 3] -1.918346850938437e-01 -1.918348057943300e-01 1.330000000000000e-07 1.207004863001959e-07 PASS
Forces [step 4] -2.092368773362956e-01 -2.092371340942830e-01 2.830000000000000e-07 2.567579874268588e-07 PASS
Compare to other inputs