Hi,
I am looking for someone who has worked with Zigzag Nanoribbons. I may have
a proposal for collaboration.
Cheers,
kemal
On 07/04/2011 12:29 AM, Zahra Talebi wrote:
hi every body.
I did work on graphene with siesta code, and now I want to do some
calculation for graphene nonoribon. If any body have any guid about
writing a fdf for nonoribons please let me know
regards
Essentially, this is not a siesta-specific re
ok, thanks
At 2011-07-04 11:11:48，"Hu Qiu" wrote:
Hi,
Of course, you can. Use the following settings:
%block GeometryConstraints
position from 129 to 136
position from 173 to 180
%endblock GeometryConstraints
Search the Siesta User’s Guide for more details using the
keywordGeometryConst
Hi,
Of course, you can. Use the following settings:
%block GeometryConstraints
position from 129 to 136
position from 173 to 180
%endblock GeometryConstraints
Search the Siesta User’s Guide for more details using the keyword
GeometryConstraints.
Hu Qiu
_
发件人: zhouge0908 [mailto:
Yes, It is possible. Just look at the manu.
在 2011年7月4日 上午11:01，zhouge0908 写道：
> Hi all,
> I want to know whether we can fix the atoms and only allow the other
> structural parameter relax when we do a structural optimization.
>
>
>
--
Zhendong Guo
Institute of Microelectronics and Optoelectr
Hi all,
I want to know whether we can fix the atoms and only allow the other structural
parameter relax when we do a structural optimization.
hi every body.
I did work on graphene with siesta code, and now I want to do some calculation
for graphene nonoribon. If any body have any guid about writing a fdf for
nonoribons please let me know
regards
