vaspin.h5

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Revision as of 12:39, 17 October 2023 by Miranda.henrique (talk | contribs)

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 and used as input for a new vasp run.

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