[Pw_forum] about phonon calculation

[Eyvaz Isaev]

Hi,

I never did such a kind of calculations, but I am
aware of this from INPUT_PH

modenum   for single mode calculation         -1
          If not set here, will be read from file
.save
         if modenum.ne.0 => nat_todo = 0; nrapp = 1;  
 list(1) =  modenum

So, specify a mode number you are interested in
Your.ph.in file. 
Hope it helps.

Bests,
Eyvaz.

--- Ezad Shojaee <ezadshojaee at hotmail.com> wrote:

> hi
> i am performing phonon calculation for Anatase and i
> want to calculate one 
> speciefic  mode only (to find out the # of k-points
> that the speciefied mode 
> converges then use the full-mode calculation with
> the same grid )
> what should i do to calculate one special mode ?
> 
>
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