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_DI
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 al
i
> ? : anne etindele ; PWSCF Forum pwscf.org>
> Envoy? le : Dimanche 30 septembre 2012 20h24
> Objet : Re: [Pw_forum] polarizability of metals using ph.x
>
>
> Dear Anne,
>
> I am not sure I understand what you actually expect. The electronic
> polarizability? (i.
