Input 06-2D.01-Na_gs.inp

Commits > Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 > Run foss-mpi-opt-full: [foss2023a-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 -2.140882400000000e-01 -2.140882400000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
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