[Pw_forum] born effective charges

[Paolo Giannozzi]

On Oct 9, 2006, at 16:40 , Vivek Ranjan wrote:

> I am trying to calculate born effective charges for a system  
> consisting of
> more than hundred atoms. I am doing it using linear response, i.e.  
> I relax
> the structure, then I do a scf calculation and then I run a gamma  
> point
> phonon calculation. After the programme prints the dielectric  
> constants,
> it must calculate the born effective charges. With the given computer
> resources at my disposal, it cannot complete this part. So, I must  
> restart
> the calculation from the previous step. I use "recover.true." flag.  
> But it
> never seems to go beyond the dielectric constant calculation part. Is
> there a way I can do this calculation ?

last time I tried - admittedly not very recently - it was working. I  
rewrote
part of the restart procedure exactly for the same purpose. Have you
tried to check if it works by restarting from a previous run with a  
small
system?

Paolo