This issue is for discussion of recipes to improve convergence (helpful parameters to reduce the number of SCF cycles, specific flags for particular system types, advisable defaults, etc).
The goal is to produce a recipe/procedure that will work well for many systems of interest.
This issue is for discussion of recipes to improve convergence (helpful parameters to reduce the number of SCF cycles, specific flags for particular system types, advisable defaults, etc).
The goal is to produce a recipe/procedure that will work well for many systems of interest.