Category:XAS

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

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