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Johannes Voss has ported BEEF [1] (Bayesian Error Estimation Functional) to both Quantum Espresso and VASP. In both cases a small library called libbeef must be built.
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The latest development version can be obtained with this command:
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svn co svn://suncatls1.slac.stanford.edu/beef/trunk beef
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Apply the patch within the VASP directory containing the fortran files by executing a command like:
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patch -p1 < vasp.5.3.beef.diff
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Then add the following to your Makefile line where the LIB variable is defined:
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-Lpathtobeeflibrary/lib -lbeef
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Then build VASP as usual. The following lines should be appended to your .INCAR file to run a BEEF calculation (the last line is optional and triggers the calculation of ensemble energies for error estimation):
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GGA = BF
LUSE_VDW = .TRUE.
Zab_VDW = -1.8867
LBEEFENS = .TRUE.
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Instructions for doing the error estimations in VASP can be found in the libbeef README file.
[1] Jess Wellendorff, Keld T. Lundgaard, Andreas Møgelhøj, Vivien Petzold, David D. Landis, Jens K. Nørskov, Thomas Bligaard, and Karsten W. Jacobsen, "Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation", Phys. Rev. B 85, 235149 (2012).