Category:XAS
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
- XAS (XANES) spectra from the super-cell core-hole method: SCH calculations.
Tutorial
- Tutorial to perform XAS calculations: XAS - Tutorial.
Pages in category "XAS"
The following 12 pages are in this category, out of 12 total.