Input 16-bomd.02-td.inp

Commits > Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc > 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 1.013287231899085e-09 PASS
Energy [step 2] -1.058156234751242e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285483719470903e-09 PASS
Energy [step 3] -1.058143100023473e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484874445623063e-09 PASS
Energy [step 4] -1.058131935619327e+01 -1.058131936040130e+01 4.630000000000000e-09 4.208033033137326e-09 PASS
Forces [step 1] -1.538554070055772e-01 -1.538555154672500e-01 1.190000000000000e-07 1.084616727820009e-07 PASS
Forces [step 2] -1.732298616200256e-01 -1.732297733830400e-01 9.710000000000000e-08 -8.823698557924864e-08 PASS
Forces [step 3] -1.918346851095998e-01 -1.918348057943300e-01 1.330000000000000e-07 1.206847302093195e-07 PASS
Forces [step 4] -2.092368789406999e-01 -2.092371340942830e-01 2.830000000000000e-07 2.551535831230023e-07 PASS
Compare to other inputs