[Pw_forum] Hellmann Feynmann forces in QE

Lorenzo Paulatto Lorenzo.Paulatto at impmc.upmc.fr
Thu Feb 16 23:01:09 CET 2012

The Hellmann-Feynman (not sure on the number of n's) forces are printed  
after the pw.x calculation is tprnfor is set to true

On Thu, 16 Feb 2012 22:59:29 +0100, Elie M <elie.moujaes at hotmail.co.uk>  

> Hello all,
> Just a quick question. Is there a way , when doing phonon calculations  
> in QE, to just extract the Hellmann Feynamnn forces exerted on the atoms  
> without going the whole way and compute the phonon frequencies?
> Thanks
> Elie MUniversity of NottinghamNG7 2RDUK 		 	   		

Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www.impmc.upmc.fr/~paulatto/
mail:  23-24/4é14 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05

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