Input 02-neon_mpi.02-ground_state-kli_par_domains.inp

Commits > Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc > Run spack_intel-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -6.103801312000000e+01 -6.103815000000000e+01 1.400000000000000e-04 1.368799999994508e-04 PASS
Eigenvalue 5 -5.116800000000000e-02 -5.117000000000000e-02 2.000000000000000e-05 2.000000000002000e-06 PASS
Eigenvalue 6 -3.571900000000000e-02 -3.571900000000000e-02 2.000000000000000e-05 0.000000000000000e+00 PASS
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