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Monday, May 17, 2021

The VASP Manual

The online VASP manual is a lengthy document generated with latex2html. If you're one of those die-hards that like real paper you might prefer to get a pdf copy of the manual.

Recently, we started a wiki, that in future will replace the online manual completely.


VASP Workshop Lectures

In 2003 we organized a VASP workshop. The lecture notes and examples from the handson sessions are highly recommended as place to start if you are a beginner and might also be useful if you are not.

Introduction to Computational Materials
Introduction to DFT
Pseudopotentials I
Hands-on Session 1, Example Files
Pseudopotentials II
Sampling the Brillouin zone
Hands-on Session 2, Example Files
Ionic relaxation methods
Electronic relaxation methods
Computational Platforms
Hands-on Session 3, Example Files
Accuracy and Validation of results
Pseudopotential Data Base
DFT in depth
Unpaired electrons in DFT
Hands-on Session 4, Example Files


More recently the CSC-IT Center for Science Ltd. in Espoo, Finland, organized two VASP workshops (2006/2009). The lecture notes of those might interest you as well.

Basics, PAW, DFT, Hybrid functionals
Linear response, Dielectric properties, GW


Technical Support

Technical support is offered as a courtesy only (not as a contractual service). Requests for technical support are to be directed WITHOUT EXCEPTION to the official VASP email addres: This email address is being protected from spambots. You need JavaScript enabled to view it.