Dear sir Firstly i am taking Zigzag nanoribbons,and width of the ribbon is 4 ,while nearest neighbor hopping parameter is equal to 1,while hoppings inside the leads is t,while hoppings between the lead and the sample is t itself.,/number of energy points are 200 and upper limit of the energy interval =3.5,while lower energy interval is -3.5.Now my Hamiltonian is becoming 24 *24 order in terms of blocks matrices.this is the geometry of the Graphene nano ribbon 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 2:24 PM, Giovanni Cantele < [email protected]> wrote: > Dear S.P., > > unfortunately providing help will be impossible if you do not try to > CLEARLY explain what you want to do. > > i) You did not say which orientation of the nanoribbon you are > considering, maybe armchair ? > ii) you said that you first considered a width equivalent to 4 atomic > lines, then 8, then you said you are not able to understand, but you did > not say WHAT you are not able to understand. > iii) I would never write any code calculating conductance and any property > before getting a clear understanding of the system I want to investigate. > Try to start from simple things, that might help you to understand for > example if you are using the correct supercell and atomic positions. > > Giovanni > > On 17 Jun 2015, at 06:02, Surender Pratap <[email protected]> > wrote: > > Thanks sir,but i have written it in matlab code,and i am getting the LDOS > ,conductance as well as EK diagram,there is hoppings inside supercells also > sir,I can share the matlab script here if you want. > > regards > > > Surender Pratap > Research Scholar > Physics Department > BITS Pilani,Pilani Campus Rajsthan-333031(INDIA)... > Mob-7891949445 > > <color_strip_BITS.jpg> > > *Birla Institute of Technology & Science,* Pilani > > Pilani 333031, Rajasthan, India > > On Wed, Jun 17, 2015 at 8:58 AM, Sanjeev Gupta <[email protected]> > wrote: > >> 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 < >> [email protected]> 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 >>> >>> <color_strip_BITS.jpg> >>> >>> *Birla Institute of Technology & Science,* Pilani >>> >>> Pilani 333031, Rajasthan, India >>> >>> On Wed, Jun 17, 2015 at 1:59 AM, Giovanni Cantele < >>> [email protected]> 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 < >>>> [email protected]> 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 >>>> >>>> <color_strip_BITS.jpg> >>>> >>>> *Birla Institute of Technology & Science,* Pilani >>>> >>>> Pilani 333031, Rajasthan, India >>>> >>>> _______________________________________________ >>>> Pw_forum mailing list >>>> [email protected] >>>> http://pwscf.org/mailman/listinfo/pw_forum >>>> >>>> >>>> _______________________________________________ >>>> Pw_forum mailing list >>>> [email protected] >>>> http://pwscf.org/mailman/listinfo/pw_forum >>>> >>> >>> >>> _______________________________________________ >>> Pw_forum mailing list >>> [email protected] >>> 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 >> ------------------------------------ >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > > > -- > > Giovanni Cantele, PhD > CNR-SPIN > c/o Dipartimento di Fisica > Universita' di Napoli "Federico II" > Complesso Universitario M. S. Angelo - Ed. 6 > Via Cintia, I-80126, Napoli, Italy > e-mail: [email protected] > Phone: +39 081 676910 > Skype contact: giocan74 > > ResearcherID: http://www.researcherid.com/rid/A-1951-2009 > Web page: http://people.na.infn.it/~cantele > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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