Overview

Overview of CASTEP-6.11 Plane wave DFT PackageĀ http://www.castep.org/

Running the APPLICATION

module load CASTEP-6.11/6.11 Compiled in parallel as castep.mpi Compiled in serial as castep.serial Requires acml/5.2.0 and fftw/3.3.2

Licensing and Systems that have APPLICATION

Free to use for UK Academics under License requiring registration.http://www.castep.org/CASTEP/GettingCASTEP

Further Information

FFT Libraries – fftw3 Math Libraries – ACML-5.2.0 MPI – openmpi-1.6.1