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[RadiJ@uaeu.ac.ae]

Thanks a lot.
I did already try a larger npwwfn and the problem disappeared.
radi

----- Original Message -----
From: Valerio Olevano <valerio.olevano@polytechnique.fr>
Date: Monday, March 10, 2003 3:12 pm
Subject: Re: [abinit-forum] GWA

> > 1. I read in some Q & A a few months
> > ago that the GWA works well only for
> > fcc and that some changes are necessary
> > for other symmetries. Is that still the
> > case?
> yes, but as said at that time, the error is negligible,
> especially if you use many k-points.
> may be it could be a good idea to put
> on the abinit web site all the forum e-mails
> in the section FAQ for example.
> when, in the next versions of the abinit file header
> there will be a variable specifying the space group of
> the system, one could try to solve this small error.
> > 2. I've been trying to use GWA for hexagonal systems
> > and I get the error: setmesh to 20.
> > Sometimes I don't get it if I choose certain
> > values for nbndsto and ncomsto.
> > How can one avoid this problem?
> I will try to solve this problem in the versions.
> If you want to go on, however, try to use slightly larger npwwfn.
> 
>