Input 10-bomd.02-td.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > 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 1.013289008255924e-09 PASS
Energy [step 2] -1.058156234751241e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285490824898261e-09 PASS
Energy [step 3] -1.058143100023473e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484867340195706e-09 PASS
Energy [step 4] -1.058131935619356e+01 -1.058131936040130e+01 4.630000000000000e-09 4.207743486972504e-09 PASS
Forces [step 1] -1.538554070055659e-01 -1.538555154672571e-01 1.190000000000000e-07 1.084616911561920e-07 PASS
Forces [step 2] -1.732298616200015e-01 -1.732297733830663e-01 9.710000000000000e-08 -8.823693514736775e-08 PASS
Forces [step 3] -1.918346851065969e-01 -1.918348057889193e-01 1.330000000000000e-07 1.206823223576237e-07 PASS
Forces [step 4] -2.092368785202592e-01 -2.092371333696214e-01 2.830000000000000e-07 2.548493622522852e-07 PASS
Compare to other inputs