Input 01-octopus_basics-getting_started.03-H_atom_independent.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue -5.009140000000000e-01 -5.008910000000000e-01 1.000000000000000e-04 -2.299999999999525e-05 PASS
Total Energy -5.009143500000000e-01 -5.008908100000000e-01 1.000000000000000e-04 -2.353999999993306e-05 PASS
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