[Pw_forum] polarizability of metals using ph.x

[Stefano Baroni]

Dear Anne,

I am not sure I understand what you actually expect. The electronic polarizability? (i.e. the dielecric constant such as probed by eels?)
For that you would need a tddft calculation, which is not implemented in ph.x ...
SB


On Sep 26, 2012, at 2:45 PM, anne etindele wrote:

> Dear all
> 
> I am trying to determine the frequency dependent polarisability of metals like 
> Pt and Al using ph.x code. Here is the input I made for the case of Pt:
> 
> phonons of pt at Gamma
>  &inputph
>   tr2_ph=1.0d-15,
>   trans=.false.,
>   fpol=.true.,
>   amass(1)=195.078,
>   prefix='Pt',
>   outdir='$TMP_DIR'
>   fildyn='pt.dynG',
>  /
> 0.0 0.0 0.0
> 
> FREQUENCIES
>  4
>  0.5d0
>  1.0d0
>  1.5d0
>  5.0d0
> 
> In the output file I don't have any value of polarizability. Do I need
> to modify or to add another parameter?
>  
> Anne Justine ETINDELE
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

La morale est une logique de l'action comme la logique est une morale de la pensée - Jean Piaget

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