
Table des matières
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).