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https://github.com/vossjo/ase-espresso/wiki
VASP with BEEF
To use BEEF with VASP, either build libbeef from source or unpack a binary version, as described above.
A In addition to building libbeef, a patch file must now be applied to the appropriate unmodified version of the VASP source code. These The patch files can be downloaded from here:
VASP Version | Patch File |
|---|---|
5.0.3 |
Apply the patch within the VASP directory containing the fortran files by executing the a command like:
| Code Block |
|---|
patch -p1 < vasp.5.3.beef.diff |
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Instructions for doing the error estimations in VASP can be found in the libbeef README file.