Input 01-quadratic_box.02-hartree.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_intel-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 5.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 3.768929000000000e+00 3.768933000000000e+00 2.000000000000000e-05 -4.000000000115023e-06 PASS
Occupation 2.000000000000000e+00 2.000000000000000e+00 2.000000000000000e-05 0.000000000000000e+00 PASS
Compare to other inputs