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

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run intel_omp_autotools: [intel2022a-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 -4.794392200000000e-01 -4.794138200000000e-01 1.000000000000000e-04 -2.540000000000875e-05 PASS
Compare to other inputs