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

Commits > Commit 6099f031302cffa2938f492784ba2f7b55faffa3 > Run foss_mpi_debug_autotools: [foss2023a-mpi]

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 -5.009144300000000e-01 -5.008908100000000e-01 1.000000000000000e-04 -2.362000000000197e-05 PASS
Compare to other inputs