Input 07-user_def_box.01-gs.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_intel-2023a_serial_omp

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