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Wannier Berri - a fast python code for Wannier i ... (No replies)

StepanTsirkin
5 years ago
StepanTsirkin 5 years ago

Dear Psi-K community,

We are happy to announce the Wannier Berri code - a new tool for Wannier interpolation and integration in k-space. Now the code is described in detail on its own  web page:

http://wannier-berri.org

Being in spirit close to postw90.x part of Wannier90, it has a number of methodological improvements.   Those include:

  • speed - it may be up to 1000 or more times faster then postw90.x

     : comparison. This is achieved due to 

  • extensive functionality 
    • Anomalous Hall conductivity
    • Orbital magnetisation
    • Berry curvature dipole (Fermi-sea and Fermi-surface formulas)
    • Gyrotropic magnetoelectric tensor (Fermi-sea and Fermi-surface formulas)
    • Hall coefficient
    • Kubo-Greenwood formula for optical conductivity
    • more..
  • flexibility – may be used with Wannier functions and tight-binding models
  • Recursive adaptive refinement for enhanced accuracy in resolving "hot spots" in k-space.

The code is free to use and modify under GPL. We hope that this code will be very useful to the community. For more details please refer to wannier-berri.org

With best regards,

Stepan Tsirkin and the Wannier Berri team.




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Ab initio (from electronic structure) calculation of complex processes in materials