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{{Template:XAS - Tutorial}}


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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 explains how to calculate the X-ray absorption spectrum (XAS) of a given compound. More precisely we are interested in the edge and near edge region of the compound. 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:
The tutorial is made of the following parts:
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# [[XANES in diamond|XANES in diamond]]
# [[XANES in Diamond|XANES in Diamond]]
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[[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: