Dear Famiao,
Yes, indeed, that implementation is for spin spiral structures, not
for geometrical ones. I am not sure if these last ones can also be
simulated with a similar approach (generalized Bloch's theorem), but
it would be worth considering it.
Best,
Victor
Fanmiao Kong <fanmiao.k...@materials.ox.ac.uk> escribió:
Dear Victor,
Thanks a lot for your reply!
I had a look at these two papers. But I didn't find the version of
siesta which can do this kind of calculation. By the way in the
paper it is the spin texture that is spiral, which sounds different
from the geometric spiral structure to me. I don't know if these two
cases can be treated in the same way.
Best wishes,
Fanmiao
Fanmiao Kong
Department of Materials, Trinity College, University of Oxford
Tel: +44 (0)7529931806 / +86 13162054601
16 Parks Road, OX1 3PH, Oxford, UK
-----Original Message-----
From: siesta-l-requ...@uam.es <siesta-l-requ...@uam.es> On Behalf Of
Víctor Manuel García Suárez
Sent: 09 February 2022 11:14
To: siesta-l@uam.es
Subject: Re: [SIESTA-L] Siesta calculation for helical structure
Dear Fanmiao,
there are versions of Siesta that can do that (see e.g. J. Phys.:
Condens. Matter 16, 5453 (2004) and Eur. Phys. J. B 40, 371–377
(2004)). It was also going to be included in the official version,
but I am not sure if the last one has it.
Best,
Victor
Fanmiao Kong <fanmiao.k...@materials.ox.ac.uk> escribió:
Hi All,
I am wondering if there's a way to calculate helical structures in
Siesta? There's no translational periodic boundary condition but the
repeating unit is twisted by an angle.
Best wishes,
Fanmiao
Fanmiao Kong
Department of Materials, Trinity College, University of Oxford
Tel: +44 (0)7529931806 / +86 13162054601
16 Parks Road, OX1 3PH, Oxford, UK
--
Víctor M. García Suárez
University of Oviedo and CINN
--
Víctor M. García Suárez
University of Oviedo and CINN
--
SIESTA is supported by the Spanish Research Agency (AEI) and by the European
H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
