Installation

- Download the binary package

- Extract the package with the command "tar -xzvf PWcup_x.x_bin_x64.tar.gz"

- Run ./pwcup (from the prompt, the recommended way)

 

Requirement

- A compiled Quantum-ESPRESSO codes (to perform calculations)

at least pw.x, bands.x, dos.x, pp.x and projwfc.x executable.
The latest release can be found here

- Python with matplotlib (for polynomial fit)
Matplotlib is packaged for almost every major Linux distribution.
The command-line installation:
    Debian / Ubuntu:
    sudo apt-get install python-matplotlib
    Fedora:
    sudo dnf install python-matplotlib
    Red Hat:
    sudo yum install python-matplotlib
   
- gnuplot (for plotting)
PWcup makes plot according to the installed version of gnuplot, < 5.0 or >= 5.0.

recommended version is 4.6 or higher.

The command-line installation:
    Debian / Ubuntu:
    sudo apt-get install gnuplot
    Fedora:
    sudo dnf install gnuplot
    Red Hat:
    sudo yum install gnuplot

 

- xterm

The command-line installation:
    Debian / Ubuntu:
    sudo apt-get install xterm
    Fedora:
    sudo dnf install xterm
    Red Hat:
    sudo yum install xterm

 

- XCrySDen (for structure vizualisation)

It is a crystalline and molecular structure visualisation program
The latest release can be found here