Input 10-bomd.02-td.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_serial_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294472507e+01 -1.058171294371180e+01 1.110000000000000e-09 -1.013267691973851e-09 PASS
Energy [step 2] -1.058156235008338e+01 -1.058156234879790e+01 1.410000000000000e-09 -1.285478390400385e-09 PASS
Energy [step 3] -1.058143100320452e+01 -1.058143100171960e+01 1.630000000000000e-09 -1.484920630900888e-09 PASS
Energy [step 4] -1.058131936460891e+01 -1.058131936040130e+01 4.630000000000000e-09 -4.207613812923228e-09 PASS
Forces [step 1] -1.538556239289451e-01 -1.538555154672571e-01 1.190000000000000e-07 -1.084616879920564e-07 PASS
Forces [step 2] -1.732296851462499e-01 -1.732297733830663e-01 9.710000000000000e-08 8.823681640901526e-08 PASS
Forces [step 3] -1.918349264965837e-01 -1.918348057889193e-01 1.330000000000000e-07 -1.207076644194061e-07 PASS
Forces [step 4] -2.092373875681514e-01 -2.092371333696214e-01 2.830000000000000e-07 -2.541985300030802e-07 PASS
Compare to other inputs