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Installation instructions for the different versions are contained in the README file in the above downloadable files.

VASP Patches

To use BEEF with VASP, either build libbeef from source or unpack a binary version, as described above.

A patch file must now be applied to the VASP source codeJohannes has also created patch files for various versions of VASP that allow BEEF to be used there. These can be downloaded from here:

VASP Version

Patch File

5.0.3

vasp.5.3.beef.diff

Within Apply the patch within the VASP directory containing the fortran files by executing the command:

Code Block
patch -p1 < vasp.5.3.beef.diff

...

Code Block
GGA = BF
LUSE_VDW = .TRUE.
Zab_VDW = -1.8867
LBEEFENS = .TRUE.

Instructions for doing the error estimations in VASP can be found in the libbeef README file.