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

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run cmake_foss_2022a_min_mpi

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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