Input 16-bomd.01-gs.inp

Commits > Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 > Run foss_mpi_autotools: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -1.060379974000000e+01 -1.060379974000000e+01 5.300000000000000e-08 0.000000000000000e+00 PASS
Compare to other inputs