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.