[Pw_forum] Hellmann Feynmann forces in QE
elie.moujaes at hotmail.co.uk
Thu Feb 16 22:59:29 CET 2012
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?
Elie MUniversity of NottinghamNG7 2RDUK
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users