Quantum ESPRESSO Workspace

A workspace for Quantum ESPRESSO

Install

git clone --recursive https://github.com/cohsh/q-e-workspace.git
cd q-e-workspace
./install.py

Environment

local ↔️ remote

Usage

At local

1. Install
2. Edit parameters in ./generate_project.py
3. Execute ./generate_project.py
4. Send input and job files to the remote computer.

At remote

1. Install
2. Receive input and job files from the local computer.
3. Execute Quantum ESPRESSO by submitting job.sh.