Adapp : The VESTA software

Introduction

VESTA is a 3D visualisation program for chemical structures and volumetric data such as electronic density and crystalline morphologies.

It accepts numerous formats including VASP POSCAR, CONTCAR, CHGCAR and LOCPOT files, .xyz and .cif files, Cube files, etc.

Documentation is available on the official VESTA Web site.

If you use this software for a publication, the following reference should be cited:
K. Momma and F. Izumi, “VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data”, J. Appl. Crystallogr., 44, 1272-1276 (2011).

Availability

Version 3.1.7 is available on Adapp.

Utilisation

Before using the software, it is necessary to activate the X display between Adapp and your local machine. To do this, you need to connect on Adapp using the command: ssh -X votre_login@adapp.idris.fr.

From Adapp, go into the folder containing your file to be visualised, then launch the following commands:

$ module load vesta
$ VESTA `pwd`/POSCAR     # for example, to visualise the POSCAR file

VESTA will open directly with your file. To open another (structure or data to add), you can do it directly from the VESTA interface.

It is not advised to launch VESTA without providing an input file as the tree would need to be reconstituted by means of the menu (which is not very practical).