Requests for technical support from the VASP group should be posted in the VASP-forum.


From Vaspwiki
Jump to navigationJump to search

Important: All XAS are only available from VASP.6.0 or higher.

To get familiarized with X-ray absorption spectroscopy (XAS) calculations one should read the theory behind the method and do the following tutorial: XAS - Tutorial. Currently only the super-cell core-hole method is implemented in VASP for XAS. The how to gives an overview of the steps needed to perform XAS calculations within the super cell.

Theoretical background

  • Theoretical backroung for XAS calculations: XAS theory.

How to


Pages in category "XAS"

The following 10 pages are in this category, out of 10 total.