Input 02-fock-darwin.01-ground_state.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run cmake_foss_2022a_full_mpi

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 1 2.502000000000000e-01 2.502000000000000e-01 1.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 2 4.904000000000000e-01 4.904000000000000e-01 1.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 3 5.104000000000000e-01 5.104000000000000e-01 1.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 4 7.305990000000000e-01 7.305990000000000e-01 1.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 5 7.505990000000000e-01 7.505990000000000e-01 1.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 6 7.705990000000000e-01 7.705990000000000e-01 1.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 7 9.707980000000000e-01 9.707980000000000e-01 1.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 8 9.907970000000000e-01 9.907970000000000e-01 1.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 9 1.010796000000000e+00 1.010796000000000e+00 1.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 10 1.030798000000000e+00 1.030798000000000e+00 1.000000000000000e-05 0.000000000000000e+00 PASS
Compare to other inputs