What is PWcup?

PWcup is a linux-based GUI for Quantum-ESPRESSO codes for electronic structure calculations. The current release supports pw.x, bands.x, dos.x, ph.x, pp.x, projwfc.x modules. It's offer the capability to create, edit or load the main input file. In addition, PWcup offer the visualization of the atomic structure with the XCrySDen program (if installed), and performs basic calculations directly from the interface.
The main features:
  •     Create master input file for pwscf.
  •     Edit or load existing master input file.
  •     Visualize atomic structure with XCryDen (if installed).
  •     Performing cutoff convergence test. (using pw.x)
  •     Structure optimization, including volume, c/a and b/a ratio.  (using pw.x)
  •     Performing some calculations. The current release include band structure, density of states. (using pw.x, bands.x, dos.x, pp.x, projwfc.x)
  •     Data analysis panel to visualize results.

IMPORTANT: The goal of PWcup is to make the handling of Quantum-Espresso more easy in particular for new users.