Xiang Li

Hi, sorry for the late response. I think this situation is related to the metallic feature of BCC H. Metal is the most challenging system for high-accuracy method because it...

So I think pmove maybe the problem. For homogeneous system, pmove may be quite large, near 1. However, we set pmove within 0.5-0.55, if not, the mcmc step width will...

Hi, Glad to see your problem solved. I am quite surprised how this problem is solved. I feel it's quite a subtle problem and I try to explain. I think...

Hi It seems I find the reason. The problem is related to the input periodic feature. Default feature of deepsolid is nu (which means some kind of polynomials), and we...

Hi there, Sorry for late response, I just come across it. Current code indeed doesn't support PP. And we are planning to open source related code in the near future....