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An Open-Source Visualization Tool for VASP


You will need to either use Open OnDemand or start a graphical SSH connection to use P4VASP

P4VASP is an open-source 3D visualization tool for the VASP molecular dynamics and computational chemistry software package.

VASP itself is licensed software. But the visualization tool is free and open source. It can work with VASP output files.

P4VASP is capable of using those files to produce displays of structure, unitcell, supercell, charge/probability/spin density, local potential, forces, velocities, dynamics, measure distances and angles among other visualizations.

Using P4VASP on the HPC#

  1. Login to Open OnDemand and start an Interactive Desktop session.
  2. Open the terminal app.
  3. Run the following command:
    singularity exec /gpfs/research/software/p4vasp/p4vasp.sif /usr/bin/p4v

The P4VASP GUI will start up.