[Pw_forum] "nat_todo",could anyone help me?

[Ngoc Linh Nguyen]

??? wrote:
> 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?
Can you be more specific?

Is the outcome an error? or don't you understand the outcome?

Please attach the output files, and we can consider that

Also, Please enclose your affiliate when you post the question and 
discussion on forum.

Best regards,


Linh




> Thank you!
>
> Regards
> Huazhong
>
>
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 Nguyen Ngoc Linh, PhD Student
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