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

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue -2.690940000000000e-01 -2.690730000000000e-01 1.000000000000000e-04 -2.099999999999325e-05 PASS
Total Energy -4.794295000000000e-01 -4.794138200000000e-01 1.000000000000000e-04 -1.568000000001790e-05 PASS
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