Input 01-quadratic_box.02-hartree.inp

Commits > Commit d6f4833c99197407842d58e82c91c418d3d73b88 > Run spack_foss-2023a_mpi_opt

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
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