How To Install bands_FS.x on CentOS 8
In this tutorial, we will discuss How To Install bands_FS.x on CentOS 8
yum package managers.
Also, we will demonstrate how to uninstall and update
bands_FS.x as well.
One-liner Install Command
If you are only interested in the installation command, here is a quick answer for you:
or if you use
sudo yum makecache && sudo yum -y install quantum-espresso
sudo dnf makecache && sudo dnf -y install quantum-espresso
But if you are interested in the details with step-by-step instructions, the following information will be helpful.
bands_FS.x and How to Install It?
Short description: Electronic-Structure and Ab-Initio Molecular Dynamics Suite
First things first, you will need access to a server or computer running CentOS 8. This guide was written specifically with a server running CentOS 8 in mind, although it should also work on older, supported versions of the operating system.
Also, make sure you are running a regular, non-root user with sudo privileges configured on your server. When you have an account available, log in as your non-root user to begin.
There are several ways to install bands_FS.x on CentOS 8. You can use (links are clickable):
In the following sections, we will describe each method in detail. You can choose one of them or refer to the recommended one.
Install bands_FS.x on CentOS 8 using dnf
First, update dnf packages database with
dnf by running the next command:
sudo dnf makecache --refresh
After updating database,
You can install bands_FS.x using
dnf by running the
sudo dnf -y install quantum-espresso
Install bands_FS.x on CentOS 8 using yum
Because bands_FS.x is available in CentOS 8’s default
it is possible to install it from these repositories using the
To begin, update local packages database with
yum using the following command.
sudo yum makecache --refresh
Now can install bands_FS.x package on your server/computer by running the following command:
sudo yum -y install quantum-espresso
How to upgrade (update) a single package bands_FS.x using yum?
To update all the packages available on the system:
If you want to update a specific package like bands_FS.x in this example you should use the following command:
yum update quantum-espresso
To downgrade a package to an earlier version:
yum downgrade quantum-espresso
How to Upgrade bands_FS.x on CentOS 8 with dnf?
When you run the
dnf update, all system packages with available updates are updated.
However, if you want to upgrade a single package, then you would have to pass the package name as
the argument to the dnf update command.
dnf update quantum-espresso
How To remove bands_FS.x from CentOS 8
To uninstall only the
bands_FS.x package you can execute
sudo dnf remove quantum-espresso
Extra info and code examples
Quantum ESPRESSO (formerly known as PWscf) is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving, ultrasoft, and PAW). Features include: * Ground-state single-point and band structure calculations using plane-wave self-consistent total energies, forces and stresses * Separable norm-conserving and ultrasoft (Vanderbilt) pseudo-potentials, PAW (Projector Augmented Waves) * Various exchange-correlation functionals, from LDA to generalized-gradient corrections (PW91, PBE, B88-P86, BLYP) to meta-GGA, exact exchange (HF) and hybrid functionals (PBE0, B3LYP, HSE) * Car-Parrinello and Born-Oppenheimer Molecular Dynamics * Structural Optimization including transition states and minimum energy paths * Spin-orbit coupling and noncollinear magnetism * Response properties including phonon frequencies and eigenvectors, effective charges and dielectric tensors, Infrared and Raman cross-sections, EPR and NMR chemical shifts * Spectroscopic properties like K- and L1-edge X-ray Absorption Spectra (XAS) and electronic excitations
You now have a full guide on how to install
yum package managers.
Also, we showed how to update manually as a single package and different ways to uninstall
the bands_FS.x from CentOS 8.