Input 10-bomd.02-td.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run intel-2022b_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294269851e+01 -1.058171294371180e+01 1.110000000000000e-09 1.013289008255924e-09 PASS
Energy [step 2] -1.058156234751242e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285476614043546e-09 PASS
Energy [step 3] -1.058143100023476e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484842471199954e-09 PASS
Energy [step 4] -1.058131935619346e+01 -1.058131936040130e+01 4.630000000000000e-09 4.207837633884992e-09 PASS
Forces [step 1] -1.538554070055875e-01 -1.538555154672571e-01 1.190000000000000e-07 1.084616695901097e-07 PASS
Forces [step 2] -1.732298616200210e-01 -1.732297733830663e-01 9.710000000000000e-08 -8.823695468729298e-08 PASS
Forces [step 3] -1.918346850918159e-01 -1.918348057889193e-01 1.330000000000000e-07 1.206971034228843e-07 PASS
Forces [step 4] -2.092368771410058e-01 -2.092371333696214e-01 2.830000000000000e-07 2.562286156304605e-07 PASS
Compare to other inputs