Dear Jeetu ,
I think you can start with some programming platform..like
python or sth.And if you jast want to see the structure then use the .XYZ
file in openbabel and convert it to the .pdb and then use VMD to see the
structure.i think for long term you should install both of these
programs.And the file I have given you is single atomic sheet only as in
case of graphene we have to define two carbon atoms bcoz of its structure.
ANANT VIJAY VARMA
M.Tech. STUDENT
CENTER FOR CONVERGING TECHNOLOGIES
UNIVERSITY OF RAJASTHAN
JAIPUR
On Fri, Jul 3, 2015 at 10:36 AM, Jeetu Donderiya <
jeetudonderiya2...@gmail.com> wrote:
> Dear vijay
>
> As i seen, this is a output files of two atomic sheet. If I want to
> increase number of atom in two dimensional way then how to define its
> atomic coordinate without direct getting from net. and how to modify its
> shape.
>
>
> Thanks in advance
>
>
>
> On Thu, Jul 2, 2015 at 4:57 PM, ANANT VIJAY <anantvijay...@gmail.com>
> wrote:
>
>> Dear jeetu ,
>> I think this will help you.
>>
>> ANANT VIJAY VARMA
>> M.Tech. STUDENT
>> CENTER FOR CONVERGING TECHNOLOGIES
>> UNIVERSITY OF RAJASTHAN
>> JAIPUR
>>
>> On Thu, Jul 2, 2015 at 4:52 PM, Dr. Mohan L. Verma <drmoha...@yahoo.com>
>> wrote:
>>
>>> Dear Jeetu
>>>
>>> Try Avogadro or Jmol to create graphene structure and find xyz
>>> coordinates of structure. The you can create fdf input file for further use
>>> in siesta.
>>> All the best.
>>>
>>> Dr Mohan L Verma
>>> Prof & Head
>>> Department of Applied Physics
>>> FET,SSGI Shri Shankaracharya Technical Campus-Junwani, Bhilai
>>> (Chhattisgrah) INDIA
>>> 490020
>>> email : drmoha...@gmail.com
>>>
>>>
>>>
>>> On Thursday, 2 July 2015 3:42 PM, Jeetu Donderiya <
>>> jeetudonderiya2...@gmail.com> wrote:
>>>
>>>
>>> Dear Siesta Developers and Users
>>>
>>> I don't understand, how can i make input fdf file for graphene mono
>>> layer sheet? while there is no graphical interface with siesta code. If i
>>> want to calculate band structure of graphene, which parameter should I
>>> define? and how shall I be conform, my structure is that as desired like
>>> bended graphene stucture.
>>>
>>>
>>> Please help me to get out of this.
>>> Many thanks.
>>>
>>> Best regards,
>>> Jeetu donderiya
>>> Research Scholar
>>> ITM GOI, Gwalior
>>>
>>>
>>>
>>
>
