XAS - Tutorial: Difference between revisions
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This tutorial explains how to calculate the X-ray absorption spectrum (XAS) of a given compound in particular the edge and near edge region. The respective spectroscopy is often called XANES (X-ray absorption near edge structure) or NEXAFS (near edge X-ray absorption fine structure). | |||
This tutorial | This tutorial requires VASP 6.0 or higher. | ||
The tutorial is made of the following parts: | The tutorial is made of the following parts: | ||
<div style="background:#FFFFFF; border:solid 1px #AAAAAA; padding:0.5em 1em; margin-right:14em;"> | <div style="background:#FFFFFF; border:solid 1px #AAAAAA; padding:0.5em 1em; margin-right:14em;"> | ||
# [[XANES in | # [[XANES in Diamond|XANES in Diamond]] | ||
</div> | </div> | ||
[[Category:Tutorials]] | [[Category:Tutorials]] | ||
Latest revision as of 09:05, 21 February 2024
This tutorial explains how to calculate the X-ray absorption spectrum (XAS) of a given compound in particular the edge and near edge region. The respective spectroscopy is often called XANES (X-ray absorption near edge structure) or NEXAFS (near edge X-ray absorption fine structure).
This tutorial requires VASP 6.0 or higher.
The tutorial is made of the following parts: