Input 03-xc.slater.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run cmake_foss_2022a_full_mpi

Matches

Name Value Reference Precision Difference Status
OEP Slater Eigenvalue up -1.128668000000000e+00 -1.128664000000000e+00 4.400000000000000e-06 -3.999999999892978e-06 PASS
OEP Slater Eigenvalue dn -6.835000000000000e-01 -6.834740000000000e-01 2.860000000000000e-05 -2.599999999997049e-05 PASS
OEP Slater Exchange -2.528673800000000e-01 -2.528807350000000e-01 1.470000000000000e-05 1.335499999999268e-05 PASS
OEP Slater Int[n*v_xc] -5.057347599999999e-01 -5.057614699999999e-01 2.940000000000000e-05 2.670999999998536e-05 PASS
Compare to other inputs