In order to install WEST you need to download the latest Quantum Espresso release . Quantum Espresso (QE) is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale, based on density-functional theory (DFT), plane waves (PW), and pseudopotentials (PP). Configure Quantum Espresso by running the
configurescript that comes with the QE distribution. WEST requires MPI support (Scalapack and OpenMP support is also recommended, but optional). If all the environment variables (compilers, libraries etc.) have been set according to the QE configure guide, this would simply be:
cd QuantumEspresso_dirIt's now time to create the
westpp.xexecutables by doing:
cd QuantumEspresso_dirYou have succefully installed QuantumEspresso and WEST if you see the executables
westpp.xcreated in the
> ls QuantumEspresso_dir/bin/Congratulations, you are all set for running Quantum Espresso and WEST!
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