Input 07-user_def_box.01-gs.inp

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_intel-2023a_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