Input 01-octopus_basics-getting_started.02-H_atom_spin.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue -2.691040000000000e-01 -2.690730000000000e-01 1.000000000000000e-04 -3.100000000000325e-05 PASS
Total Energy -4.794391000000000e-01 -4.794138200000000e-01 1.000000000000000e-04 -2.528000000001640e-05 PASS
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