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

Commits > Commit b7dcc99023940be2b83de00317ffa33e598f3f55 > Run foss_opt_autotools: [foss2023a-serial]

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 -2.622412093400000e+02 -2.622403158000000e+02 9.829999999999999e-04 -8.935399999927540e-04 PASS
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