How to choose the parameter `SIGMA_SH`
Closed this issue · 2 comments
xke123502 commented
Dear developer,
Thank you for your sharing. I'm working on how to use the SOLHYBRID model. I got how ALPHA_SH is seleted from your paper (shape function, bound charge density and ion charge density) , but how about SIGMA_SH?
zoowe commented
As of now, I do not have any rule for choosing this value. My test showing that SIGMA_SH = 1 Angstrom (convert to direct coordinate) is a stable parameter.
xke123502 commented
Thank you.