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User tools
- Input data can be prepared using the graphical user interface PWGui
- Visualization of the results can be obtained using XCrySDen
- An experimental web-based interface is available at NERSC: see the presentation video, contact the authors if interested in trying it
- Other visualization software that can produce input data or read output data for Quantum ESPRESSO:
- GDIS
- J-ICE (on-line converter available at this link)
- VMD
- gOpenMol
- VESTA.
- Quantum ESPRESSO plug-ins (i.e. software that add functionalities by modifying QE code):
- PLUMED: Meta-Dynamics
- Environ: self-consistent continuum solvation model
- External software using Quantum ESPRESSO code:
- thermo_pw: Elastic constants, Vibrational properties in the Quasi-Harmonic Approximation
- QE-GIPAW: EPR and NMR chemical shifts
- WEST: Electronic excitations with Many-Body Perturbation Theory
- GWL: Electronic excitations with Many-Body Perturbation Theory
- EPW: Calculation of electron-phonon interactions coefficients
- External software that can either use QE as a quantum engine, or use QE output data for further processing
- AiiDA: Automated Interactive Infrastructure and Database for Computational Science
- YAMBO: Electronic excitations with Many-Body Perturbation Theory
- WanT: Coherent Transport from Maximally Localized Wannier Functions
- WANNIER90: Maximally-localized Wannier functions and transport properties
- BerkeleyGW: Many-Body Perturbation Theory
- QMCPACK: Quantum Monte Carlo calculations
- ElaStic: Elastic Constants
- XtalOpt: Evolutionary/Genetic Algorithm (no longer maintained)
- USPEX: Evolutionary/Genetic Algorithm
- PHON: Phonon calculation using the Frozen-Phonon approach
- CALYPSO: Crystal structure prediction via Particle Swarm Optimization
- NanoTCAD ViDES: Simulation of nanostructured devices
- BoltzTraP: Calculation of transport properties
- AMULET: Dynamical Mean Field Theory calculations
- Other QE resources found in external sites:
(Last updated NOvember 16, 2015)