Input 01-quadratic_box.03-hartree+xc.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_mpi_autotools: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 2.000000000000000e-05 0.000000000000000e+00 PASS
Total energy 3.354003640000000e+00 3.354007440000000e+00 1.000000000000000e-05 -3.799999999998249e-06 PASS
Eigenvalue 2.739403000000000e+00 2.739407000000000e+00 1.000000000000000e-05 -4.000000000115023e-06 PASS
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