Input 16-bomd.02-td.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022b

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294472506e+01 -1.058171294371180e+01 1.110000000000000e-09 -1.013258810189654e-09 PASS
Energy [step 2] -1.058156235008336e+01 -1.058156234879790e+01 1.410000000000000e-09 -1.285464179545670e-09 PASS
Energy [step 3] -1.058143100320453e+01 -1.058143100171960e+01 1.630000000000000e-09 -1.484929512685085e-09 PASS
Energy [step 4] -1.058131936460611e+01 -1.058131936040130e+01 4.630000000000000e-09 -4.204808945473815e-09 PASS
Forces [step 1] -1.538556239289444e-01 -1.538555154672500e-01 1.190000000000000e-07 -1.084616943758387e-07 PASS
Forces [step 2] -1.732296851460907e-01 -1.732297733830400e-01 9.710000000000000e-08 8.823694924720016e-08 PASS
Forces [step 3] -1.918349264189885e-01 -1.918348057943300e-01 1.330000000000000e-07 -1.206246585117032e-07 PASS
Forces [step 4] -2.092373951594418e-01 -2.092371340942830e-01 2.830000000000000e-07 -2.610651587964252e-07 PASS
Compare to other inputs