Vaspin.h5: Difference between revisions
No edit summary |
No edit summary |
||
| Line 9: | Line 9: | ||
* Other important [[:Category:Input files|input files]] include {{FILE|INCAR}}, {{FILE|KPOINTS}}, {{FILE |POSCAR}}, and {{FILE |POTCAR}} | * Other important [[:Category:Input files|input files]] include {{FILE|INCAR}}, {{FILE|KPOINTS}}, {{FILE |POSCAR}}, and {{FILE |POTCAR}} | ||
[[Category:Files]][[Category:Input files]] | [[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
- Other important input files include INCAR, KPOINTS, POSCAR, and POTCAR