QUANTUM ESPRESSO
BURAI the graphical interface for Quantum Espresso
This is the BURAI software package, which is a GUI system of Quantum ESPRESSO < http://www.quantum-espresso.org >. Copyright (C) 2016-2018 BURAI-team <nisihara.burai@gmail.com>. This sy…
QUANTUM ESPRESSO
The python interface for Quantum Espresso
ase-espresso is a python interface for Quantum Espresso using the Atomic Simulation Environment ase . The main purpose of the ase-espresso interface is to allow for python-controlled ionic upd…
QUANTUM ESPRESSO
The graphicl interface PWgui for QUANTUM ESPRESSO code
We present a graphical interface for QUANTUM ESPRESSO code called PWgui interface What is PWgui ? PWgui is a GUI for PWscf based programs from Quantum-ESPRESSO integrated suite of codes…
VASP
CASTEP2BoltzTraP interface
CASTEP2BoltzTraP interface This directory contains CASTEP interface files to the BoltzTraP package for the solution of the semi-classical Boltzmann Transport Equation for electrons. The interface …
UTILITIES
c2x Tool
C2x, or check2xsf as it was first known, was developed in the TCM Group in Cambridge. It reads and writes a selection of file formats which relate to DFT electronic structure codes. It is not …
QUANTUM ESPRESSO
AIIDA: Automated Interactive Infrastructure and Database for Computational Science
Welcome to AiiDA’s documentation! AiiDA is a sophisticated framework designed from scratch to be a flexible and scalable infrastructure for computational science. Being able to store the fu…
