Questions tagged [wannier90]

For questions related to the program wannier90, a program that calculates maximally localized Wannier Functions

Filter by
Sorted by
Tagged with
7
votes
2answers
134 views

Data format of wannier90_hr.dat from wannier90

I did a calculation on a bulk system with DFT and fit it with the tight binding matrix with wannier90. There is question on this. I try to write my own code to construct a slab tight binding matrix ...
6
votes
0answers
29 views

construct a tight binding matrix of high atomic layer thin film from the lower one

Give a tight binding matrix of a few atomic layer thin film system, is it possible to construct a tight binding matrix of higher atomic layers thin film from the lower one ? For example, I have a 4 ...
4
votes
0answers
20 views

How to interpret WannierTools Python code that generates tight-binding model in the wannier90_hr.dat format?

I am getting myself acquainted with Wannier Tools. Wannier Tools requires two inputs, a wt.in file, and a .dat file. This .dat file should have the structure explained in the manual here. This file ...
6
votes
1answer
60 views

Calculating the surface state with Wannier tools

Currently I met a problem when I calculate the surface state of a topologically non-trivial thin film system. I did a DFT calculation and fit the result with wannier function. The fitting looks pretty ...
10
votes
1answer
75 views

Is Wannier 90 computationally expensive to run?

I'm extremely new to the Wannier90 code. I was planning to install it on a workstation I have but I would be using the cores to run calculations using Quantum ESPRESSO. I have a few quad core i5 PC's. ...