Skip to content

A repository for surface cleavage and optimisation tools.

License

Notifications You must be signed in to change notification settings

ericmates/surface_maker

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

8 Commits
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

surface_maker

This repository includes the tools necessary to construct and optimise surfaces from any given bulk structure. Surfaces are first generated with the surface_cleaver.py code. All generated structures can then be optimised with the Birch-Murnaghan EOS using the bm_generate.py script, whose results can be read by the bm_reader.py script. The bm_final.py snippet generates the final structure representative of the surface slab.

About

A repository for surface cleavage and optimisation tools.

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages