Input 07-user_def_box.01-gs.inp

Commits > Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 > Run foss_autotools: [foss2023b-serial]

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