vaspin.h5

From VASP Wiki
Revision as of 14:54, 20 October 2023 by Miranda.henrique (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

This file can be used to replace the typical INCAR, POSCAR, POTCAR, and KPOINTS files using a single HDF5 file.

Currently, we do not provide a tool to systematically create this file from scratch, instead, this feature is currently mostly intended to reproduce previous calculations.

A vaspout.h5 file that resulted from previous calculations can be renamed to vaspin.h5, copied to an empty directory, and used as input for a new VASP run.

Related tags and articles

Retrieved from "https://www.vasp.at/wiki/index.php?title=Vaspin.h5&oldid=22551"