Vaspin.h5: Difference between revisions

From VASP Wiki
(Created page with "{{DISPLAYTITLE:vaspin.h5}} This file can be used to replace the typical {{FILE|INCAR}}, {{FILE|POSCAR}}, {{FILE|POTCAR}}, and {{FILE|KPOINTS}} files using a single HDF5 file....")
 
No edit summary
 
(4 intermediate revisions by the same user not shown)
Line 1: Line 1:
{{DISPLAYTITLE:vaspin.h5}}
{{DISPLAYTITLE:vaspin.h5}}
This file can be used to replace the typical {{FILE|INCAR}}, {{FILE|POSCAR}}, {{FILE|POTCAR}}, and {{FILE|KPOINTS}} files using a single HDF5 file.
This file can be used to replace the typical {{FILE|INCAR}}, {{FILE|POSCAR}}, {{FILE|POTCAR}}, and {{FILE|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.
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 {{FILE|vaspout.h5}} file that resulted from previous calculations can renamed to {{FILE|vaspin.h5}} and used as input for a new vasp run.


[[Category:Files]][[Category:Output files]]
A {{FILE|vaspout.h5}} file that resulted from previous calculations can be renamed to {{FILE|vaspin.h5}}, copied to an empty directory, and used as input for a new VASP run.
 
== Related tags and articles ==
* Other important [[:Category:Input files|input files]] include {{FILE|INCAR}}, {{FILE|KPOINTS}}, {{FILE |POSCAR}}, and {{FILE |POTCAR}}
 
[[Category:Files]][[Category:Input files]][[Category:HDF5 support]]

Latest revision as of 14:54, 20 October 2023

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