Input 10-bomd.03-td_restart.inp

Commits > Commit ff858744384f796bd1ad65ff45f26dd2d219c42c > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058125197138685e+01 -1.058125197929708e+01 8.700000000000000e-09 7.910227139973358e-09 PASS
Energy [step 2] -1.058226789868422e+01 -1.058226790610678e+01 8.160000000000000e-09 7.422563896852807e-09 PASS
Energy [step 3] -1.058222762693280e+01 -1.058222763507127e+01 9.060000000000000e-09 8.138474782981575e-09 PASS
Energy [step 4] -1.058219874484920e+01 -1.058219875382902e+01 9.840000000000001e-09 8.979823107324592e-09 PASS
Forces [step 1] -2.249842232076400e-01 -2.249842127905284e-01 1.150000000000000e-08 -1.041711156224423e-08 PASS
Forces [step 2] -2.378813085168879e-01 -2.378811867300932e-01 1.360000000000000e-07 -1.217867946767814e-07 PASS
Forces [step 3] -2.490666120513256e-01 -2.490668206371630e-01 1.380000000000000e-06 2.085858374079042e-07 PASS
Forces [step 4] -2.574374846774971e-01 -2.574373063428386e-01 2.150000000000000e-06 -1.783346584294243e-07 PASS
Compare to other inputs