Input 16-bomd.02-td.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2023a_mpi_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] -1.058156234751241e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285490824898261e-09 PASS
Energy [step 3] -1.058143100023475e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484854905697830e-09 PASS
Energy [step 4] -1.058131935619365e+01 -1.058131936040130e+01 4.630000000000000e-09 4.207647563703176e-09 PASS
Forces [step 1] -1.538554070055719e-01 -1.538555154672500e-01 1.190000000000000e-07 1.084616780833159e-07 PASS
Forces [step 2] -1.732298616199971e-01 -1.732297733830400e-01 9.710000000000000e-08 -8.823695710202806e-08 PASS
Forces [step 3] -1.918346851012219e-01 -1.918348057943300e-01 1.330000000000000e-07 1.206931080910412e-07 PASS
Forces [step 4] -2.092368779743524e-01 -2.092371340942830e-01 2.830000000000000e-07 2.561199305972650e-07 PASS
Compare to other inputs