Input 10-bomd.02-td.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run spack_foss-2022a_serial_debug

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294472507e+01 -1.058171294371180e+01 1.110000000000000e-09 -1.013269468330691e-09 PASS
Energy [step 2] -1.058156235008337e+01 -1.058156234879790e+01 1.410000000000000e-09 -1.285473061329867e-09 PASS
Energy [step 3] -1.058143100320453e+01 -1.058143100171960e+01 1.630000000000000e-09 -1.484927736328245e-09 PASS
Energy [step 4] -1.058131936460760e+01 -1.058131936040130e+01 4.630000000000000e-09 -4.206299308862071e-09 PASS
Forces [step 1] -1.538556239289464e-01 -1.538555154672571e-01 1.190000000000000e-07 -1.084616892965684e-07 PASS
Forces [step 2] -1.732296851461451e-01 -1.732297733830663e-01 9.710000000000000e-08 8.823692115855764e-08 PASS
Forces [step 3] -1.918349264864545e-01 -1.918348057889193e-01 1.330000000000000e-07 -1.206975351886186e-07 PASS
Forces [step 4] -2.092373883619490e-01 -2.092371333696214e-01 2.830000000000000e-07 -2.549923276140564e-07 PASS
Compare to other inputs