Category:Calculation setup

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Revision as of 07:52, 6 April 2022 by Huebsch (talk | contribs) (Huebsch moved page Calculation setup to Category:Calculation setup)

After the installation, VASP can be executed in a directory. In this directory, VASP looks for input files such as the INCAR file, POTCAR file, POSCAR file, and KPOINTS file.

The central way to control the calculation is by setting INCAR tags. However, depending on the VASP calculation, there are other input files to provide settings for the calculation, e.g., the ICONST file.

Finally, VASP will write output files to the same directory. For postprocessing, py4vasp is a convenient python package to read and visualize the produced data.

Subcategories

This category has the following 9 subcategories, out of 9 total.

Pages in category "Calculation setup"

The following 3 pages are in this category, out of 3 total.