[Wien] Crystal structure that XCrySDen cannot visualize

[delamora]

Thank you Lyudmila,
        I am using the XCrySDen-1.5.25, and maybe it is why I am having this problem.
It is a curious problem that does not worry me;
If I put an atom in an hexagonal cell;
a=b=4A, c=5A
Atom 1: 0,0,0
Atom 2: x,x, y
the system changes to 8 Cm and I cannot visualize it, but if I change gamma by a small angle then I have no problem, and if I do not change the angle I can go and calculate the electronic properties.
If c=6A then I do not have this problem.

On the other hand I am studying
Gd + H2O -> GdO + H2

            Pablo

________________________________________
De: wien-bounces at zeus.theochem.tuwien.ac.at <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Lyudmila Dobysheva <lyuka17 at mail.ru>
Enviado: miércoles, 9 de marzo de 2016 04:57 a. m.
Para: A Mailing list for WIEN2k users
Asunto: Re: [Wien] Crystal structure that XCrySDen cannot visualize

08.03.2016 22:19, delamora wrote:
> that there is a problem, but what I see is that it is with XCrySDen and
> not with WIEN2k.
>     Well, this structure cannot be visualized with XCrySDen
>     Structure that cannot be visualized
>     more GdO-H2-C.struct

Dear Pablo,

I have taken your struct file and it passed well through my Xcrysden
(see in attachments), so cannot see your problem.

By the way, I'd say this is not
 > Gd and H2O
but an oxide of Gd with H2 molecules.

Best wishes
   Lyudmila Dobysheva
------------------------------------------------------------------
Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
426001 Izhevsk, ul.Kirova 132
RUSSIA
------------------------------------------------------------------
Tel.:7(3412) 432045(office), 722529(Fax)
E-mail: lyu at ftiudm.ru, lyuka17 at mail.ru (office)
         lyuka17 at gmail.com (home)
Skype:  lyuka17 (home), lyuka18 (office)
http://ftiudm.ru/content/view/25/103/lang,english/
------------------------------------------------------------------