The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

On 11 Dec 2006, at 10:17, zmq.lyao@gmail.com wrote:

> Dear Abinit users,
>     I have a question about a response function calculation at  
> Gamma point needing long time. Because of the time limit of server,  
> I can't finish the calculation in the time limit. It seem that  
> Abinit can't restart the electric field perturbation and phonons  
> calculation. So, I have to seperate the calculation into several  
> parts. For example, if I have 40 atoms to perturb, I want to   
> separate them into 4 parts, like
> rfatpol   1 10
> rfatpol   11 20
> rfatpol   21 30
> rfatpol   31 40
>
> and perform 4 runs, than merge the 4 DDB files with MRGDDB. Is it  
> right way to get a complete dynamical matrix? Thanks in advance.

Yes, this is the purpose of MRGDDB !
Xavier