[Pw_forum] Hellmann Feynmann forces in QE

[Liang Feng Huang]

> 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?

This is the way the frozen-phonon method (or finite-displacement method) follows.

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L.F.Huang （黄良锋）, Electronic Structure and Phonon Physics
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Add: Research Laboratory for Computational Materials Sciences,
Instutue of Solid State Physics,the Chinese Academy of Sciences,
P.O.Box 1129, Hefei 230031, P.R.China
Tel: 86-551-5591440(office)
Fax: 86-551-5591434
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