Input 06-octopus_basics-periodic_systems.01-silicon.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run intel_mpi_omp_autotools: [intel2022a-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Space group 2.270000000000000e+02 2.270000000000000e+02 1.000000000000000e-04 0.000000000000000e+00 PASS
Number of k-points 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Number of SCF iterations 1.300000000000000e+01 1.300000000000000e+01 1.000000000000000e-01 0.000000000000000e+00 PASS
Total Energy -7.929303680000000e+00 -7.929303680000000e+00 3.960000000000000e-07 0.000000000000000e+00 PASS
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