- 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)
- 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