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Wednesday, September 26, 2018

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.