Input 02-neon_mpi.01-ground_state-IP_par_domains.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2023a_mpi

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -8.755795350000000e+01 -8.755795211000000e+01 1.000000000000000e-04 -1.389999994216851e-06 PASS
Eigenvalue 5 -3.987813000000000e+00 -3.987813000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 6 -3.088058000000000e+00 -3.088058000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
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