Input 03-octopus_basics-total_energy_convergence.01-N_atom.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 5.000000000000000e-03 0.000000000000000e+00 PASS
Total Energy -2.565692055600000e+02 -2.565692055600000e+02 1.280000000000000e-07 0.000000000000000e+00 PASS
Eigenvalue 1 -1.985614000000000e+01 -1.985614000000000e+01 9.930000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 2 -6.753351000000000e+00 -6.753350999999999e+00 3.380000000000000e-05 -8.881784197001252e-16 PASS
Eigenvalue 3 -6.753351000000000e+00 -6.753350999999999e+00 3.380000000000000e-05 -8.881784197001252e-16 PASS
Eigenvalue 4 -6.753351000000000e+00 -6.753350999999999e+00 3.380000000000000e-05 -8.881784197001252e-16 PASS
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