In-person VASP workshop: Introduction to advanced techniques. Interested in personal tutoring by VASP developers? Registration for our in-person workshop in Rennes, France! Attend this workshop (June 30 - July 04, 2025) to get a wide-ranging introduction and master the latest features concerning electron-phonon coupling, magnetism, and more ...

If you have questions or run into trouble, please have a look at the known issues and/or post a question on the VASP Forum. Mind: We offer support on a courtesy basis only, not as a contractual service.

In VASP, central quantities, like the one-electron orbitals, the electronic charge density, and the local potential are expressed in plane wave basis sets. The interactions between the electrons and ions are described using norm-conserving or ultrasoft pseudopotentials, or the projector-augmented-wave method.

1.3.1 stdout¶. After you run VASP, the following stdout will be printed to the terminal:. running on 2 total cores distrk: each k-point on 2 cores, 1 groups distr: one band on 1 cores, 2 groups vasp.6.3.0 16May21 (build Oct 09 2021 15:55:16) complex POSCAR found : 1 types and 1 ions Reading from existing POTCAR scaLAPACK will be used Reading from existing POTCAR …

Analyze VASP output. The output files written by VASP depends on the kind of calculation you are running. py4vasp is the most seamless tool to extract data from VASP calculations. It is a Python package developed by VASP developers and helps to get a quick look at data, as well as parse it to other common formats.

The recommended order is to work from top to bottom in the navigation on the left-hand side. As a beginner, start with Atoms and molecules - Part 1: Introduction to VASP. It covers the basics of density-functional theory and ionic relaxation. To learn more about the theory, follow the VASP Channel on YouTube or attend a workshop. We look ...

This builds the standard, gamma-only, noncollinear or all versions of VASP. The executables are vasp_std, vasp_gam, and vasp_ncl, respectively, which are located at /path/to/vasp.X.X.X/bin/. Step 4: Test Run the test suite with make test to confirm the build was successful.

The software PHONON by K. Parlinski uses the Hellmann-Feynman forces from VASP, in order to calculate phonon dispersion relations, phonon density of states, mode symmetries, thermodynamic functions, neutron coherent and incoherent scattering, x-rays scattering, nuclear inelastic scattering, infrared absorption, and Raman scattering.

Videos. Interested in the underlying theory? Check out the lectures on our YouTube channel

Here you will find instructions on how to install VASP on some widely-used Linux distributions. For the sake of simplicity the suggested build processes rely as much as possible on compilers and libraries provided by the operating system's package manager.