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.

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