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Berkeley XAS

By Benjamin Han1, Andrew Taber1, Keith Gilmore1, David Prendergast2

1. University of California, Berkeley 2. Lawrence Berkeley National Lab

Calculate core level x-ray absorption spectra for molecules and crystals

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Version 1.0w - published on 17 Mar 2015

doi:10.4231/D3B27PS24 cite this

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    structure calculation post processing Molecule Ethanol O Average Pyridine N Average



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The Berkeley XAS tool is suitable for the calculation of K-edge spectra of molecular systems. Tool overview available at (outdated) Berkeley XAS currently has support for the following atomic species: H, C, N, O Experimental data taken from the Hitchcock Group's Core Excitation Database:

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Researchers should cite this work as follows:

  • Benjamin Han; Andrew Taber; Keith Gilmore; David Prendergast (2015), "Berkeley XAS," (DOI: 10.4231/D3B27PS24).

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Tags, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.