VASP

Disclaimer

VASP is proprietary and it can only be used by users who have supplied a VASP license.

Research Computing personal generally do not know any software in depth beyond knowing how to turn it on (with the exception of programming languages), and this sentiment is especially true for VASP.

Using VASP on Coeus

Users can load the VASP module with the below. This will give user the ability to invoke vasp_gam, vasp_cnl, and vasp_std.

module load Chemistry/VASP/5.4.4/openmpi-2.0/gcc-7.2.0

The POTPAW pseudopotentials live in /scratch/VASP/potpaw_PBE.54/. Each subdirectory may contain a CSCTR and/or a POTCAR file.