The ABINIT Users Mailing List ( CLOSED )

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

On 16 Mar 2006, at 17:38, Nuno A. G. Bandeira wrote:

> Xavier Gonze wrote:
>
> > An input file is never very long, and the full output is usually  
> > not  to be send to the forum.
> > In my mail, I mentioned that one needs to send the relevant part  
> > of  the output files.
> > Of course, selecting the relevant parts of the output file means that
> > people using the forum mailing list should do some careful work.
>
> Indeed but I imagine that you won't do much without the planewave  
> pseudopotential files especially if they're custom made. And these  
> are almost invariably very long.

On the contrary, the availability of the full input file allows to  
try to make the run.
Indeed, in general, the particular problem will not be due to a  
specific pseudopotential, so that
it can be reproduced by using any of the publicly available ones.

If the problem is specific to one pseudopotential,
then if it is available on the Web, the author of the mail should  
indicate in one line
which pseudopotential should be used...

Well, in any case, having the full input file allows to see things  
that the author
has not seen.

Xavier