News

We are seeking two Research Software Engineers in Vienna, Austria. We offer you

• A combination of software development and scientific projects
• To learn cutting-edge technologies for high-performance computing
• A competitively-paid long-term perspective without grant or tenure track constraints

The VASP Software GmbH develops the de-facto standard for the simulation of condensed matter systems—the Vienna Ab Initio Software Package (VASP). We have a dynamic international team and would like to add two new members that

• Have a proven track record in Computational Solid-State Physics or possibly Computational Chemistry
• Enjoy programming and have experience with Fortran or Python
• Want to understand materials from first principles
• Like improving their software developers’ capabilities

You would stand out, if you

• Have prior experience with VASP
• Contributed to a large software project
• Designed graphical applications and interfaces
• Worked with workflow tools (ASE, AiiDA, pymatgen, …)
• Developed code on modern high-performance architectures
• Have extensive experience with teaching and workshop planning

Please write in a motivational letter expressing what makes you the ideal candidate. Send this letter along with a curriculum vitae and a list of all publications to martin.schlipf@vasp.at (subject: position Research Software Engineer) and in cc to christian.hirsch@vasp.at.

Preselection of candidates will begin 6th of July.

September 27 - 30, 2022

Schedule: 4.00 pm – 9.00 pm CEST (lectures and hands-on sessions)
Venue: Online (Zoom)

In 4 days of lectures and hands-on sessions, this workshop covers ab-initio molecular dynamics, machine learning force fields, structure prediction, and phonons. During the hands-on sessions, you will learn to perform your own ab-initio simulations using the Vienna Ab-initio Simulation Package (VASP). Additionally, you have the extraordinary opportunity to meet the team developing VASP to learn from them how to simulate the properties of materials.

Registration fee: 250€
Capacity: 100 (At least 15% will be free of charge.)
Deadline: August 1, 2022

Register here!

Note: The lectures are live, and a recording will be available for participants afterward. For hands-on sessions, active participation is required!

A new release of VASP is available for download now!

This release consist of several bugfixes and performance improvements w.r.t. VASP.6.3.0.

Go to the VASP Portal to get VASP.6.3.0. This requires a VASP.6 license issued by the VASP Software GmbH.
Get a license!

Over the last two years, we have developed a new post-processing tool for VASP. Built with Python, you can integrate it easily into your scripts. This new package uses the HDF5 support of VASP to give you direct access to the data so that you can avoid parsing the text-based output.

If you use Jupyter Notebooks, you will appreciate the interactive plotting tools. For example, with a few easy lines of code, you see the structure or the density of states VASP produced.

At a glance: Watch the teaser to see what you can do with py4vasp!

Start using py4vasp

py4vasp is used extensively in our new tutorials. Please check them out to see how this package can assist your research.

A new release of VASP is available for download now!

Go to the VASP Portal to get VASP.6.3.0. This requires a VASP.6 license issued by the VASP Software GmbH.
Get a license!

Find out what’s new!

November 8 - 12, 2021

Schedule: 4.00 pm – 8.00 pm CET (lectures), 12.00 am – 4.00 pm CET (hands-on sessions) Venue: Online (Zoom)

In 8 introductory lectures and 8 hands-on sessions, this workshop covers density-functional theory, the projector-augmented-wave method, selected exchange-correlation functionals, corrections for correlated electron systems on the level of GW, magnetism, relativistic corrections, and molecular dynamics using our novel machine-learning force-fields module. During the hands-on sessions, you will learn to perform your own ab-initio simulations using the Vienna Ab-initio Simulation Package (VASP), and you can have discussions with the developers of VASP.

Registration fee: 280€ Capacity: 64 (At least 15% will be free of charge.) Deadline: October 1, 2021

Note: The lectures are live and will be available on-demand for participants afterward. For hands-on sessions active participation is required!

Register here!

A new release of VASP, version 6.2.1, is available for download now (for all holders of a valid “VASP.6” license)!

For all VASP users who have already purchased a VASP.6 license from the VASP Software GmbH, VASP.6.2.1 is now available for download.

This release consist of several (minor) bugfixes and performance improvements w.r.t. VASP.6.2.0.

VASP users who have a valid VASP.5 license from the VASP Software GmbH or the University of Vienna are entitled to upgrade to VASP.6. Because of withholding taxes and other surcharges the upgrade fee varies between 1.500,- Euro and about 2.000,- Euro net of VAT for six academic users. It requires the signing of a new license agreement between the VASP Software GmbH and the licensee. The new license agreement will replace the license agreement between the University of Vienna and the licensee.

To request an upgrade or new license send an email to licensing@vasp.at.

A new release of VASP, version 6.2.0, is available for download now (for all holders of a valid “VASP.6” license)!

For all VASP users who have already purchased a VASP.6 license from the VASP Software GmbH, VASP.6.1.0 is now available for download.

VASP users who have a valid VASP.5 license from the VASP Software GmbH or the University of Vienna are entitled to upgrade to VASP.6. Because of withholding taxes and other surcharges the upgrade fee varies between 1.500,- Euro and about 2.000,- Euro net of VAT for six academic users. It requires the signing of a new license agreement between the VASP Software GmbH and the licensee. The new license agreement will replace the license agreement between the University of Vienna and the licensee.

To request an upgrade or new license send an email to licensing@vasp.at.

The vasp.6.1.0, vasp.6.1.1 and vasp.6.1.2 releases have a potentially serious issue that can lead to loss of user data unrelated to vasp in the home directory! This issue has yet been only observed on MacOS and BSD systems, but might affect other OS as well. Avoid to use

 make test
 make test_all
 make cleantest

or the use of any script called

 cleanall

on MacOS or BSD systems (and potentially other OS) until we release a fix.

This script is used to clean the files produced by VASP after running the test suite. The readlink and dirname commands take different arguments on Linux and BSD systems including macOS. On BSD systems this results in the $dir variable becoming empty, cd to the home folder and removing ALL files recursively that do not match the pre-defined patterns.

Most employees of the VASP Software GmbH continue to work in home office. We have adjusted our processes in such a way that support, development and sales are again largely undisturbed and fully functional. However, since the office is not manned we are usually not reachable by phone. For sales-related questions, please send an e-mail to licensing@vasp.at. If you want to contact any employee directly, we suggest you do so per email as well (FirstName.FamilyName ‘at’ vasp.at). If personal contact is urgently required, we can arrange a Microsoft Teams meeting to talk to you in person.