u...@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. Phy
, University of Oxford
Tel: +44 (0)7529931806 / +86 13162054601
16 Parks Road, OX1 3PH, Oxford, UK
From: siesta-l-requ...@uam.es On Behalf Of Zeila
Zanolli
Sent: 09 February 2022 15:03
To: siesta-l@uam.es
Subject: Re: [SIESTA-L] Siesta calculation for helical structure
Dear Fanmiao
you can make a
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
Dear Fanmiao
you can make a supercell large enough to host one period of oscillation.
Best
Zeila
On Tue, Feb 8, 2022 at 10:04 PM Fanmiao Kong <
fanmiao.k...@materials.ox.ac.uk> wrote:
> Hi All,
>
>
>
> I am wondering if there’s a way to calculate helical structures in Siesta?
> There’s no transl
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 escribi
