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

Commits > Commit 7368b0b20aad13e0ecfc3e36ba5b1a9f5c3d54b1 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 1 9.999000000000000e-01 9.999000000000000e-01 1.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 5 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 9 2.999900000000000e+00 2.999900000000000e+00 1.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 13 3.999600000000000e+00 3.999600000000000e+00 1.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 17 4.000000000000000e+00 4.000000000000000e+00 1.000000000000000e-05 0.000000000000000e+00 PASS
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