[Pw_forum] Surface Phonon and vib. of molecule

[ashima]

Hi all,
I'd like to calculate vibrational properties 
of crystal surfaces and molecules.

But I don't have the knowlege about the way to calculate the surface phonon.

So, I have the following two questions:

(1)
Can ph.x code calculate phonon of slab model ?.
If, 'Yes', please teach the methods.

(2)
Can ph.x code calculate vibrational modes of molecule, such as Benzene ring ?.
Does it needs a special manners ?.


Thank you in advance.
Best regards,
H. Ashima

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Hidenori Ashima

Catalysis Research Center
Hokkaido University, Japan

e-mail : ashima at cat.hokudai.ac.jp
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