Input 10-bomd.02-td.inp

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Run spack_foss-2022a_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] -1.058156234751240e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285503259396137e-09 PASS
Energy [step 3] -1.058143100023473e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484869116552545e-09 PASS
Energy [step 4] -1.058131935619353e+01 -1.058131936040130e+01 4.630000000000000e-09 4.207770132325095e-09 PASS
Forces [step 1] -1.538554070055685e-01 -1.538555154672571e-01 1.190000000000000e-07 1.084616886026790e-07 PASS
Forces [step 2] -1.732298616200129e-01 -1.732297733830663e-01 9.710000000000000e-08 -8.823694658266490e-08 PASS
Forces [step 3] -1.918346851016640e-01 -1.918348057889193e-01 1.330000000000000e-07 1.206872553283223e-07 PASS
Forces [step 4] -2.092368780946777e-01 -2.092371333696214e-01 2.830000000000000e-07 2.552749437390034e-07 PASS
Compare to other inputs