[Spglib-users] Large mesh problem

[Tianshi W. <ts...@ud...>]

Dear spglib users,

 

I am dealing with a very large mesh (500x500x500), but I only care a very
small region near gamma, e.g. (-0.03, 0.03) for three coordinates. 

 

I am trying to find the reducible points for the small region and the
mapping relation between irreducible and reducible points. I tried to use
Spglib for the full Brillouin zone, but the code crashed for overwhelming
data. Is there a way I can do it? Thank you very much!

 

Tianshi Wang

Graduate student in materials science, University of Delaware, US