11.03.2016 00:29, delamora wrote:
I am using the XCrySDen-1.5.25, and maybe it is why I am having this problem.
Mine is Version: 1.4.1
Best wishes
Lyudmila Dobysheva
--
Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
4
De: wien-boun...@zeus.theochem.tuwien.ac.at
en nombre de Lyudmila Dobysheva
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 proble
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
RMT= 0.6600 Z: 1.0
De: wien-boun...@zeus.theochem.tuwien.ac.at
en nombre de Tomas Kana
Enviado: martes, 8 de marzo de 2016 04:38 a. m.
Para: A Mailing list for WIEN2k users
Asunto: Re: [Wien] Crystal structure that XCrySDen cannot visualize
Dear Pablo,
If you want
Dear Pablo,
If you want to visualize this structure in XCrysDen,
you may try to use
x supercell
make 1x1x1 supercell with zero shift and zero vacuum and use
P when asked for lattice type.
cp case_super.struct case.struct
and try it again in XCrysden
HTH
Tomas
"Dear WIEN2
Dear WIEN2k community,
There is a strange thing with a crystal structure, I am playing with Gd
and H2O, so I put the following structure (I erased some lines);
P LATTICE,NONEQUIV.ATOMS: 4 1_P1
MODE OF CALC=RELA unit=ang
Dear Wien2k users,
I would like to make calculations for imogolite nanotubes,
the crystal structure is given in cylindrical coordinates.
is there a way for calculations for such structures with WIEN2k ?
Regards
PS: crystallographic structure
http://www.nature.com/nature-physci/journal/v240/n
esults for yourself.
Regards
Tomas
P?vodn? zpr?va
Od: Antonio Vanderlei dos Santos - Fisica
P?edm?t: [Wien] Crystal structure
Datum: 14.5.2012 21:14:39
Dear users
I'm trying to calculate the following structure.
rhombohedra Cr
Dear users
I'm trying to calculate the following structure.
rhombohedra Crystal structure with the spacegroup (R3m) with Five atoms
in one unit cell. Could someone provide me the correct atomic
positions.
regards
-- next part --
An HTML attachment was scrubbed...
URL:
9 matches
Mail list logo