Quantum Espresso Series: How to run calculations in Quantum Espresso

I found a blog where nuts and bolts of doing calculations in Quantum Espresso code. In the blog post from quantumbarista.blogspot.com , the author Ryan Cloke has discussed the "Electronic Structure Calculations of Graphene Nanoribbons Using Quantum Espresso".

This blog post provides a detailed description on how to compute the band structure of a graphene nanoribbon.

Have a look at it.

I will do calculations and update to you later.

Quantum Espresso Series: Installing Quantum Espresso in Ubuntu 16.04 for newbies

Quantum Espresso is a opensource code for studying the electronic properties of materials. Installation of Quantum Espresso had been a difficult task earlier for new comers (now I believe that it is easy)

In this guide, I provide an easy way to install Quantum Espresso in Ubuntu 16.04. The hardware requirements can be seen here.

First check whether you have a FORTRAN complier (gfortran is a free FORTRAN compiler which is available in Ubuntu by default)

To update to new version of gfortran,

sudo apt-get install gfortran

This will install/update gfortran.

Now go the Quantum Espresso site.

Go to download page.

Download the specific version of the code you want.

Download the examples.

Extract the code using xzvf *.tz

Run ./configure

This will tell you if there is need for the installation of any packages

If configure is success,

Run make pw

Then move to examples folder

Now, you can run the specific examples

If there is need for