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

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Run spack_foss-2023a_mpi_debug

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
Compare to other inputs