Questions tagged [wannier90]
For questions related to the program wannier90, a program that calculates maximally localized Wannier Functions
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I generated Wannier centers but am having trouble understanding how they relate to the atoms in my system: there are more Wannier centers than atoms?
I'm trying to calculate dipole moments from Wannier centers for the first time and there are basics I don't understand and can't figure out from online resources.
The software I'm using has a simple &...
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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 ...
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Is it possible to 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 ...
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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
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1answer
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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 ...
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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. ...
