Input 07-user_def_box.01-gs.inp

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy 2.385879700000000e-01 2.385879700000000e-01 2.000000000000000e-07 0.000000000000000e+00 PASS
Eigenvalue 2.385880000000000e-01 2.385880000000000e-01 2.000000000000000e-05 0.000000000000000e+00 PASS
Dipole x -1.950440000000000e+00 -1.950440000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Dipole y 1.950440000000000e+00 1.950440000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Compare to other inputs