Input 02-octopus_basics-basic_input_options.01-N_atom.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Number of inner points 8.972700000000000e+04 8.972700000000000e+04 1.000000000000000e-04 0.000000000000000e+00 PASS
Grid cutoff 1.160586810000000e+03 1.160586810000000e+03 1.000000000000000e-04 0.000000000000000e+00 PASS
Matrix vector products 2.500000000000000e+01 2.500000000000000e+01 1.000000000000000e-04 0.000000000000000e+00 PASS
Converged eigenvectors 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total Energy -2.622416245100000e+02 -2.622406766300001e+02 9.950000000000000e-04 -9.478799999556031e-04 PASS
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