How To Install wannier90 on CentOS 7
Introduction
In this tutorial we learn how to install wannier90 on CentOS 7.
What is wannier90
Wannier90 is a program for calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that may or may not be attached to or mixed with other bands. The formalism works by minimising the total spread of the MLWF in real space. This is done in the space of unitary matrices that describe rotations of the Bloch bands at each k-point. As a result, wannier90 is independent of the basis set used in the underlying calculation to obtain the Bloch states. Therefore, it may be interfaced straightforwardly to any electronic structure code. The locality of MLWF can be exploited to compute band-structure, density of states and Fermi surfaces at modest computational cost. Furthermore, wannier90 is able to output MLWF for visualisation and other post-processing purposes. Wannier functions are already used in a wide variety of applications. These include analysis of chemical bonding in real space; calculation of dielectric properties via the modern theory of polarisation; and as an accurate and minimal basis set in the construction of model Hamiltonians for large-scale systems, in linear-scaling quantum Monte Carlo calculations, and for efficient computation of material properties, such as the anomalous Hall coefficient.
We can use yum or dnf to install wannier90 on CentOS 7. In this tutorial we discuss both methods but you only need to choose one of method to install wannier90.
Install wannier90 on CentOS 7 Using yum
Update yum database with yum using the following command.
sudo yum makecache
After updating yum database, We can install wannier90 using yum by running the following command:
sudo yum -y install wannier90
Install wannier90 on CentOS 7 Using dnf
If you don’t have dnf installed you can install DNF on CentOS 7 first.
Update yum database with dnf using the following command.
sudo dnf makecache
After updating yum database, We can install wannier90 using dnf by running the following command:
sudo dnf -y install wannier90
How To Uninstall wannier90 on CentOS 7
To uninstall only the wannier90 package we can use the following command:
sudo dnf remove wannier90
References
Summary
In this tutorial we learn how to install wannier90 on CentOS 7 using yum and dnf.
