Input 10-bomd.03-td_restart.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058125197138736e+01 -1.058125197929708e+01 8.700000000000000e-09 7.909720878274129e-09 PASS
Energy [step 2] -1.058226789868474e+01 -1.058226790610678e+01 8.160000000000000e-09 7.422038095228345e-09 PASS
Energy [step 3] -1.058222762693747e+01 -1.058222763507127e+01 9.060000000000000e-09 8.133804740850792e-09 PASS
Energy [step 4] -1.058219874487963e+01 -1.058219875382902e+01 9.840000000000001e-09 8.949385232881468e-09 PASS
Forces [step 1] -2.249842232068537e-01 -2.249842127905284e-01 1.150000000000000e-08 -1.041632533005377e-08 PASS
Forces [step 2] -2.378813085414384e-01 -2.378811867300932e-01 1.360000000000000e-07 -1.218113451773029e-07 PASS
Forces [step 3] -2.490666168814714e-01 -2.490668206371630e-01 1.230000000000000e-06 2.037556916523187e-07 PASS
Forces [step 4] -2.574369000881060e-01 -2.574373063428386e-01 1.840000000000000e-06 4.062547325767163e-07 PASS
Compare to other inputs