diff --git a/aiida_sssp_workflow/protocol/precision.yml b/aiida_sssp_workflow/protocol/precision.yml index 08d3f46f..b6cea302 100644 --- a/aiida_sssp_workflow/protocol/precision.yml +++ b/aiida_sssp_workflow/protocol/precision.yml @@ -33,7 +33,7 @@ opsp: degauss: 0.0045 smearing: fd conv_thr_per_atom: 1.0e-8 - kpoints_distance: 0.2 + kpoints_distance: 0.06 mixing_beta: 0.4 - scale_count: 7 - scale_increment: 0.02 + scale_count: 5 + scale_increment: 0.03