Dear all,
I want to do phonon calculation on an adsorption system with symmetry. So
Idid some test calculations.
I did a test calculation on a system, say an molecule is adsorbed on a surface.
I just want to calculate the vibrational frequencies of the molecule. I set
"nat_todo" in the input file of ph.x, and set the list of indices of atoms of
the molecule. But in the result file there is not phonons. I don't know
what's wrong with it, and how to set parameter in the input file of ph.x.
Could anyone help me? Thank you!
Regards
Huazhong
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