Codes for the LSMO

This repository contains

• configurations for AiiDA codes on EPFL supercomputers
• binaries of codes for setup on local computers and cluster
• data files with input parameters needed by the codes

Prerequisites

An environment, where AiiDA is set up and installed, including plugins for the corresponding codes (e.g. aiida-cp2k, aiida-raspa, aiida-ddec, aiida-qeq, aiida-zeopp, ...).

Usage

pip install -r requirements.txt
./configure.py