XANES and Optic

MULTIBINIT, aTDEP, ANADDB, optics, cut3d, mrg* postprocessors

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kaneod
Posts: 42
Joined: Wed Mar 10, 2010 11:47 am

XANES and Optic

Post by kaneod » Tue Mar 27, 2012 11:34 am

It's not exactly clear from the documentation: is the method published in

Calculations of the transport properties within the PAW formalism
High Energy Density Physics 6 (2010) 84–88
S. Mazevet*, M. Torrent, V. Recoules, F. Jollet

mentioned in the thread http://forum.abinit.org/viewtopic.php?f=21&t=30&p=80 with regards to XANES/NEXAFS/ELNES actually implemented in Abinit or the Optic utility, for example?

If not, I might have a go at it if I can get my head around how Abinit's source tree is organized.

Kane
Dr Kane O'Donnell
Postdoctoral Research Fellow
Australian Synchrotron

kaneod
Posts: 42
Joined: Wed Mar 10, 2010 11:47 am

Re: XANES and Optic

Post by kaneod » Thu Apr 19, 2012 2:42 pm

As a follow up to my own question, the methods are implemented (but undocumented) in the conducti utility, with options 4 and 5.
Dr Kane O'Donnell
Postdoctoral Research Fellow
Australian Synchrotron

tan0814
Posts: 1
Joined: Sun Oct 29, 2017 3:35 am

Re: XANES and Optic

Post by tan0814 » Sun Oct 29, 2017 3:39 am

Thanks for your question and reply! It is very helpful to me.

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