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Saturday, July 21, 2018

NEW RELEASE: VASP.5.4.4

A new release of VASP, version 5.4.4.18Apr17, is available for download now (for all holders of a valid "VASP.5.2" license)!

Read more: NEW RELEASE: VASP.5.4.4

NEW RELEASE: PAW datasets v.54!

After long and careful consideration we have decided to release a new set of POTCAR files (version 54) covering the periodic table.

You will find the new potentials on the download-portal.

Cheers, The VASP team.

Read more: NEW RELEASE: PAW datasets v.54!

Bugfix: patch #1 for vasp.5.4.4.18Apr17

Dear All,

This patch (patch.5.4.4.16052018) for vasp.5.4.4.18Apr17-6-g9f103f2a35 addresses several bugs that were found and fixed:

  1. Fixes a bug in the stress term when using the SCAN functional in certain pathological cases.
  2. Fixes a bug in the Thomas-Fermi potential.
  3. Fixes a bug that affected the optB88 for some atoms and molecules.
  4. Fixes some issues with the BSE at finite q.

and adds support for:

  1. The CX13 vdW-DFT functional.

This patch can be downloaded from the download portal or our wiki.

Gunzip and apply this patch inside the vasp.5.4.4 root directory:

patch -p0 < patch.5.4.4.16052018

Our apologies for the inconvenience,

The VASP team.

Important Notice

Dear Prospective VASP Users,

Some companies are selling illegal copies of VASP.

VASP can only be acquired legally in two ways:

  1. Purchase a license directly from the University of Vienna (send a request to: This email address is being protected from spambots. You need JavaScript enabled to view it. ).
    Note: all legal licenses hold a signature of Georg Kresse, J├╝rgen Hafner or Doris Vogtenhuber.
  2. Purchase a license from Materials Design Inc., or their official resellers.

All legal copies are centrally registered.

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