Input 15-oep-CG.02-oep-dens.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run spack_foss-2022a_serial_debug

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 2.430000000000000e-05 0.000000000000000e+00 PASS
Total energy -4.910918535000000e+01 -4.910918412000000e+01 1.350000000000000e-06 -1.229999995189246e-06 PASS
eigenvalue 1 up -5.823338000000000e+00 -5.823296000000000e+00 4.670000000000000e-05 -4.199999999965343e-05 PASS
eigenvalue 1 dn -5.823338000000000e+00 -5.823296000000000e+00 4.670000000000000e-05 -4.199999999965343e-05 PASS
eigenvalue 5 up -4.875380000000000e-01 -4.875500000000000e-01 2.440000000000000e-04 1.199999999995649e-05 PASS
eigenvalue 5 dn -4.875380000000000e-01 -4.875500000000000e-01 2.440000000000000e-04 1.199999999995649e-05 PASS
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