Input 10-bomd.03-td_restart.inp

Commits > Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 > Run foss_cmake: [foss2023a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058125197138809e+01 -1.058125197929708e+01 8.700000000000000e-09 7.908989019256296e-09 PASS
Energy [step 2] -1.058226789868535e+01 -1.058226790610678e+01 8.160000000000000e-09 7.421432357546109e-09 PASS
Energy [step 3] -1.058222762686107e+01 -1.058222763507127e+01 9.060000000000000e-09 8.210202295799718e-09 PASS
Energy [step 4] -1.058219874480388e+01 -1.058219875382902e+01 9.840000000000001e-09 9.025141523011371e-09 PASS
Forces [step 1] -2.249842232060164e-01 -2.249842127905284e-01 1.150000000000000e-08 -1.041548799984859e-08 PASS
Forces [step 2] -2.378813084265863e-01 -2.378811867300932e-01 1.360000000000000e-07 -1.216964931050057e-07 PASS
Forces [step 3] -2.490665911230232e-01 -2.490668206371630e-01 1.380000000000000e-06 2.295141398045430e-07 PASS
Forces [step 4] -2.574378564761102e-01 -2.574373063428386e-01 2.150000000000000e-06 -5.501332716040253e-07 PASS
Compare to other inputs