I am aware of pyPROCAR and VASPKIT. Are there any other tools supporting VASP

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    $\begingroup$ Will turn into an answer if I have time (someone else feel free) but: ASE is a huge one missing here. Also, the VTST Tools scripts. Pymatgen too. $\endgroup$ May 4, 2020 at 14:30
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    $\begingroup$ Please answer when you have time $\endgroup$
    – Thomas
    May 4, 2020 at 14:30

1 Answer 1


The Atomic Simulation Environment (ASE) is a pretty big name missing from your list. It can read in a variety of VASP-generated output files and do several post-processing analyses. More importantly, it can be used to set up calculations and even run them using its Vasp() calculator, provided you link it to a VASP executable. You can read more about ASE in this paper.

Pymatgen also has several pre- and post-processing tools that work with VASP, although you cannot as easily launch calculations from the tool like you can with ASE. Pymatgen is a more general platform meant for materials analysis, but there are indeed several VASP utilities. You can read more about Pymatgen in this paper.

There are also the highly popular VTST Tools scripts, which can be used to parse output files for various properties and set up transition state calculations.

And then there are countless short scripts scattered around the Internet for various use-cases, such as those of Peter Larsson.

Of course, this excludes the many dozens of GUI-based programs that can parse VASP output files, such as those listed here.


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