External Programs: QE and VASP
******************************

If you are not yet familiar with the graphical user interface (GUI) in
the Amsterdam Modeling Suite, see

* GUI Overview tutorials

* Building Crystals and Slabs tutorial


Quantum ESPRESSO (QE)
=====================

* Quantum ESPRESSO: Geometry and Lattice Optimization

* Quantum ESPRESSO: Magnetism, Band Structure and pDOS

* Quantum ESPRESSO: Calculating IR and Raman Spectra

* Quantum ESPRESSO: Phonon Band Structure, DOS, and Thermodynamics

* Quantum ESPRESSO: Magnetic Anisotropy Energy

Quantum ESPRESSO: Geometry and Lattice Optimization[image]

**Keywords:** Geometry Optimization, Lattice Optimization,
Convergence, Forces, Crystal

Quantum ESPRESSO: Magnetism, Band Structure and pDOS[image]

**Keywords:** magnetism, Electronic band structure, pDOS (Projected
Density of States), Electronic Structure, spin unpolarized, spin-
polarized, ferromagnetic, antiferromagnetic

Quantum ESPRESSO: Calculating IR and Raman Spectra[image]

**Keywords:** Spectroscopy, IR Spectra, Raman Spectra, Crystal, BeO,
PLAMS

Quantum ESPRESSO: Phonon Band Structure, DOS, and
Thermodynamics[image]

**Keywords:** Materials Science, Phonons, Phonon Band Structure,
Phonons Density of States (DOS), Thermodynamics, BeO, PLAMS,

Quantum ESPRESSO: Magnetic Anisotropy Energy[image]

**Keywords:** Materials Science, Magnetic Anisotropy Energy (MAE),
Spin Orientation, Force Theorem

See also:

  How to download and install Quantum ESPRESSO for use with AMS


VASP
====

* VASP: TiO₂ surface relaxation

See also:

  * VASP-via-AMS documentation
