Dear siesta users;

I also compiled gdis-0.9-01 and when I wanted to open *.fdf files
gdis switched off (when I open *.xyz everything works).
Do you have any idea what is the reason of it?

Best regards
Magdalena Birowska

2010/3/29 cornil david <[email protected]>

> The full explanation can be found on the Manual.
> Briefly these parameters are called the region 1 and region 2 depths. Size
> of region 1 is chosen so that some properties are converged and region 2 big
> enought so that the atoms represent the effect of the bulk upon the atom in
> region 1. The sum of the 2 regions give the total numbers of layers;
>
>
>
>
> David "Pocket" Cornil
> PhD Student - FNRS Research Fellow
>
> Laboratory for Chemistry of Novel Materials (CMN)
>
> University of Mons
>
> 20 Place du Parc
>
> 7000 Mons
>
> BELGIUM
>
>
>  ------------------------------
> *De :* Fen Hong <[email protected]>
> *À :* [email protected]
> *Envoyé le :* Lun 29 mars 2010, 13 h 10 min 33 s
> *Objet :* Re: Re : Re : [SIESTA-L] the reason i cannot use surface tab in
> the gdis
>
> Hi,Dear David ,
> but what's the meaning about the depth in surfaces-depths.
> I think the depth is for the layer of the surface.why it has two variable?
>
>
>
>

Responder a