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 request, but a basic techniques required for any nano-structure simulation using similar codes like pwscf/siesta/vasp/abinit, and so on.
In my personal point of view, I suggest you using GDIS/lev00/vesta for such jobs. As far as the available example is concerned, you can see the following one ( which is also mentioned on this list sometime ago ):
http://unam.bilkent.edu.tr/mt2/transiesta/ Regards. -- Hongyi Zhao <[email protected]> Institute of Semiconductors, Chinese Academy of Sciences GnuPG DSA: 0xD108493
