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

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]

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
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