Skip to content

lyglst/pyFermi

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

7 Commits
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

pyFermi

Fermi surface of Aluminum, color encoded by its spin-related properties <b>2

Introduction

This is an web application that could reconstruct the fermi surface and some related physical properties from ab initio calculation, such as VASP (Vienna ab-initio simulation packages), quantum espresso.

The reconstruction process use Wannier function to interpolate the fermi surface and wavefunctions. Formalism from this paper:

Yates, J. R., Wang, X., Vanderbilt, D., & Souza, I. (2007). Spectral and Fermi surface properties from Wannier interpolation. Physical Review B - Condensed Matter and Materials Physics, 75(19), 1–12. https://doi.org/10.1103/PhysRevB.75.195121

The visualization and interaction are achieved by using DASH.

Currently in its early stage.

About

Reconstruct the fermi surface and some related physical properties from ab initio calculation.

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published