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<div></FONT><FONT color=#444444>> 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?
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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,
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Instutue of Solid State Physics,the Chinese Academy of Sciences,
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P.O.Box 1129, Hefei 230031, P.R.China
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Tel: 86-551-5591440(office)
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Fax: 86-551-5591434
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