[Pw_forum] Neutrons, Xrays, and Phonons, Oh, My!

[Nicola Marzari]

Hi Eric,


you could look at "Neutron static structure factor" in Paolo Umari's
thesis:
http://library.epfl.ch/en/theses/?nr=2774

It's CP, not PWSCF, but the ingredients are all there.

				nicola


Eric Abel wrote:
> Hello pwscf users,
> 
> I recently made a rather lengthy cry for help on the phonon 
> eigendisplacements, which fell, it seems, on deaf ears.  So I want to 
> place the question again plain and simple:
> 
> Has anyone successfully calculated the Neutron/Xray scattering 
> cross-section based on the results of ph.x, matdyn.x, or dynmat.x?  If 
> so I would like to pick your brain a little.
> 
> Eric
> 
> P.S. Stefano, Paolo, and friends...PWscf is a great piece of software.  
> I applaud you for bringing ab-initio to the masses!
> 
> 
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Prof Nicola Marzari   Department of Materials Science and Engineering
13-5066   MIT   77 Massachusetts Avenue   Cambridge MA 02139-4307 USA
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