[Pw_forum] regarding supercells in graphene nanoribbons

[Sanjeev Gupta]

Hi, SP

perhaps positions of atom is not correct and they repeat in second layers,
but again with Giovanni reply, share your input so user look and comment
correctly.

SKG

On Tue, Jun 16, 2015 at 8:16 PM, Surender Pratap <
suren1986dhalaria at gmail.com> wrote:

> Thanks a lot sir,i have taken width of the ribbon is 4,but now in my
> calculation it is becoming two times ,that means 8 sir,which i am not able
> to understand sir,why it is happening like this sir.Please help me in this
> matter sir.
> regards
>
> Surender Pratap
> Research Scholar
> Physics Department
> BITS Pilani,Pilani Campus Rajsthan-333031(INDIA)...
> Mob-7891949445
>
>
> *Birla Institute of Technology & Science,* Pilani
>
> Pilani 333031, Rajasthan, India
>
> On Wed, Jun 17, 2015 at 1:59 AM, Giovanni Cantele <
> giovanni.cantele at spin.cnr.it> wrote:
>
>> Dear S. P.,
>>
>> 8 could be the right or the wrong Number, it depends on which are the
>> orientation and the width of the nanoribbon. How did you choose that
>> number? Nobody will be able to provide help if you do not provide
>> sufficient information.
>>
>> Giovanni
>>
>> Inviato da iPad
>>
>> Il giorno 16/giu/2015, alle ore 14:45, Surender Pratap <
>> suren1986dhalaria at gmail.com> ha scritto:
>>
>> Dear all users
>>
>> Can any body tell me please how many atoms are taken into supercells of
>> Hamiltonian,in my calculation of graphene nanoribbons ,i am taking 8,is it
>> right to take 8 ,how 8 are coming i am not able to understand.
>>
>> regards
>>
>> Surender Pratap
>> Research Scholar
>> Physics Department
>> BITS Pilani,Pilani Campus Rajsthan-333031(INDIA)...
>> Mob-7891949445
>>
>>
>> *Birla Institute of Technology & Science,* Pilani
>>
>> Pilani 333031, Rajasthan, India
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
With Best Regards,

------------------------------------
Dr. Sanjeev Kumar Gupta
Fulbright Post-Doctoral Scholar
Dept. of Physics
Michigan Technological University
1400 Townsend Drive, Houghton
MI 49931, USA
------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150616/a6ccf3f8/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: color_strip_BITS.jpg
Type: image/jpeg
Size: 11055 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150616/a6ccf3f8/attachment.jpg>