Information about the package, wannier90, which is shipped with common Linux distributions. The wannier90 package is designed for, Maximally-localised Wannier functions.
Package Name:
wannier90
Summary:
Maximally-localised Wannier functions
Description:
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.
Architecture:
x86_64
Version:
2.0.0
Release:
1.el6
Size:
40 M
Repository:
epel
From Repository:
Licence:
GPLv2+
Control the wannier90 package with the following handy commands outlined below.
yum install wannier90
This command will install wannier90 on the server.
yum remove wannier90
This command will un-install wannier90 on the server. When you run this command, you will be asked if you are sure that you want to remove wannier90, so you have to manually confirm that you want to do this.
yum -y remove wannier90
This command will un-install wannier90 on the server. When you run this command with th e -y flag, you will not be prompted to check that you are sure you want to remove the package - so be sure you absolutely want to remove wannier90 when using the -y flag.
yum update wannier90
This command will update wannier90 to the latest version. When you run this command, you will be asked if you are sure that you want to remove wannier90, so you have to manually confirm that you want to do this.
yum -y update wannier90
This command will update wannier90 to the latest version. When you run this command with the -y flag, you will not be prompted to check that you are sure you want to remove the package - so be sure you absolutely want to remove wannier90 when using the -y flag.
yum info wannier90
This command will show you core information about the wannier90 package.
yum deplist wannier90
This command will show you the dependencies for wannier90. Thankfully, when using Yum, if dependencies are required, these are also installed at the same time so you don't have to worry too much about that.
yum check-update wannier90
This command will check if there is an update waiting on wannier90. When you run this command this will return nothing if there is nothing to update, or, will return the package name if the package is due to be updated.