Home - Chengcheng-Xiao/VASP2WAN90_v2_fix GitHub Wiki

Welcome to the VASP2WAN90_v2_fix wiki!

Before you dive in to the calculations, please make sure you have satisfied the following prerequisites:

• basic knowledge of what's a Wannier function
• basic knowledge of what's a maximally localized Wannier function.
• How to do basic SCF and band calculations with VASP.

If you have satisfied the above prerequisites, choose a subject in the following section and read on!

Table of Contents

• Keywords
• Basic Workflow
  • spin-degenerage case
  • spin-polarized case
  • non collinear case
• Advanced Workflow
  • spin-degenerage case
  • spin-polarized case
  • non collinear case
• Code structure and ideas
  • what's wrong with the original interface?
  • Code structure

more exercises!

• Check out Wannier90's own extensive tutorials!
• Check out my examples!

Notes

• Notes