Input 10-bomd.03-td_restart.inp

Commits > Commit f72050fe95608e153e1887ef05d1ad42dc082fde > Run intel_mpi_omp_autotools: [intel2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058125197138716e+01 -1.058125197929708e+01 8.700000000000000e-09 7.909916277526463e-09 PASS
Energy [step 2] -1.058226789868466e+01 -1.058226790610678e+01 8.160000000000000e-09 7.422121583999797e-09 PASS
Energy [step 3] -1.058222762698422e+01 -1.058222763507127e+01 9.060000000000000e-09 8.087051028837777e-09 PASS
Energy [step 4] -1.058219874497736e+01 -1.058219875382902e+01 9.840000000000001e-09 8.851655408648185e-09 PASS
Forces [step 1] -2.249842232069935e-01 -2.249842127905284e-01 1.150000000000000e-08 -1.041646505162142e-08 PASS
Forces [step 2] -2.378813086122550e-01 -2.378811867300932e-01 1.360000000000000e-07 -1.218821618076404e-07 PASS
Forces [step 3] -2.490666503889415e-01 -2.490668206371630e-01 1.380000000000000e-06 1.702482214926970e-07 PASS
Forces [step 4] -2.574367778571833e-01 -2.574373063428386e-01 2.150000000000000e-06 5.284856553489092e-07 PASS
Compare to other inputs