<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Dear S.P.,<div class=""><br class=""></div><div class="">unfortunately providing help will be impossible if you do not try to CLEARLY explain what you want to do.</div><div class=""><br class=""></div><div class="">i) You did not say which orientation of the nanoribbon you are considering, maybe armchair ?</div><div class="">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.</div><div class="">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.</div><div class=""><br class=""></div><div class="">Giovanni</div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 17 Jun 2015, at 06:02, Surender Pratap <<a href="mailto:suren1986dhalaria@gmail.com" class="">suren1986dhalaria@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">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.<div class=""><br class=""></div><div class="">regards</div><div class=""><br class=""></div></div><div class="gmail_extra"><br clear="all" class=""><div class=""><div class="gmail_signature"><div dir="ltr" class=""><div class=""><font size="2" class="">Surender Pratap<br class="">Research Scholar<br class="">Physics Department<br class="">BITS Pilani,Pilani Campus Rajsthan-333031(INDIA)...<br class=""></font></div><font size="2" class=""><font size="2" class="">Mob-<font size="2" class="">7891949445</font></font><br class=""></font><br class=""><div class=""><font color="#990000" face="tahoma, sans-serif" class=""><span id="cid:part1.08000902.09030905@bits-pilani.ac.in"><color_strip_BITS.jpg></span><br class=""></font></div><div class=""><p style="margin-top:6.85pt;margin-right:0cm;margin-left:0cm;margin-bottom:0.0001pt" class="">
<b class=""><span style="font-family:"Arial","sans-serif";color:#211d70" class="">Birla Institute of Technology &
Science,</span></b><span style="font-family:"Arial","sans-serif";color:#211d70" class=""> Pilani</span></p><p class=""><span style="color:rgb(33,29,112);font-family:Arial,sans-serif;font-size:8.5pt" class="">Pilani 333031, Rajasthan, India</span></p></div></div></div></div>
<br class=""><div class="gmail_quote">On Wed, Jun 17, 2015 at 8:58 AM, Sanjeev Gupta <span dir="ltr" class=""><<a href="mailto:physics.skgupta@gmail.com" target="_blank" class="">physics.skgupta@gmail.com</a>></span> wrote:<br class=""><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr" class="">Hi, SP<div class=""><br class=""></div><div class="">perhaps positions of atom is not correct and they repeat in second layers, but again with <span style="font-size:12.8000001907349px" class="">Giovanni reply, share your input so user look and comment correctly.</span></div><div class=""><span style="font-size:12.8000001907349px" class=""><br class=""></span></div><div class=""><span style="font-size:12.8000001907349px" class="">SKG</span></div></div><div class="gmail_extra"><div class=""><div class="h5"><br class=""><div class="gmail_quote">On Tue, Jun 16, 2015 at 8:16 PM, Surender Pratap <span dir="ltr" class=""><<a href="mailto:suren1986dhalaria@gmail.com" target="_blank" class="">suren1986dhalaria@gmail.com</a>></span> wrote:<br class=""><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr" class="">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.<div class="">regards</div></div><div class="gmail_extra"><span class=""><br clear="all" class=""><div class=""><div class=""><div dir="ltr" class=""><div class=""><font size="2" class="">Surender Pratap<br class="">Research Scholar<br class="">Physics Department<br class="">BITS Pilani,Pilani Campus Rajsthan-333031(INDIA)...<br class=""></font></div><font size="2" class=""><font size="2" class="">Mob-<font size="2" class=""><a href="tel:7891949445" value="+917891949445" target="_blank" class="">7891949445</a></font></font><br class=""></font><br class=""><div class=""><font color="#990000" face="tahoma, sans-serif" class=""><span id="cid:part1.08000902.09030905@bits-pilani.ac.in"><color_strip_BITS.jpg></span><br class=""></font></div><div class=""><p style="margin-top:6.85pt;margin-right:0cm;margin-left:0cm;margin-bottom:0.0001pt" class="">
<b class=""><span style="font-family:"Arial","sans-serif";color:#211d70" class="">Birla Institute of Technology &
Science,</span></b><span style="font-family:"Arial","sans-serif";color:#211d70" class=""> Pilani</span></p><p class=""><span style="color:rgb(33,29,112);font-family:Arial,sans-serif;font-size:8.5pt" class="">Pilani 333031, Rajasthan, India</span></p></div></div></div></div>
<br class=""></span><div class=""><div class=""><div class="gmail_quote">On Wed, Jun 17, 2015 at 1:59 AM, Giovanni Cantele <span dir="ltr" class=""><<a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank" class="">giovanni.cantele@spin.cnr.it</a>></span> wrote:<br class=""><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="auto" class=""><div class="">Dear S. P.,</div><div class=""><br class=""></div><div class="">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.</div><div class=""><br class=""></div><div class="">Giovanni <br class=""><br class="">Inviato da iPad</div><div class=""><div class=""><div class=""><br class="">Il giorno 16/giu/2015, alle ore 14:45, Surender Pratap <<a href="mailto:suren1986dhalaria@gmail.com" target="_blank" class="">suren1986dhalaria@gmail.com</a>> ha scritto:<br class=""><br class=""></div><blockquote type="cite" class=""><div class=""><div dir="ltr" class="">Dear all users<div class=""><br class=""></div><div class="">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.</div><div class=""><br class=""></div><div class="">regards</div><div class=""><br clear="all" class=""><div class=""><div class=""><div dir="ltr" class=""><div class=""><font size="2" class="">Surender Pratap<br class="">Research Scholar<br class="">Physics Department<br class="">BITS Pilani,Pilani Campus Rajsthan-333031(INDIA)...<br class=""></font></div><font size="2" class=""><font size="2" class="">Mob-<font size="2" class=""><a href="tel:7891949445" value="+917891949445" target="_blank" class="">7891949445</a></font></font><br class=""></font><br class=""><div class=""><font color="#990000" face="tahoma, sans-serif" class=""><span id="cid:part1.08000902.09030905@bits-pilani.ac.in"><color_strip_BITS.jpg></span><br class=""></font></div><div class=""><p style="margin-top:6.85pt;margin-right:0cm;margin-left:0cm;margin-bottom:0.0001pt" class="">
<b class=""><span style="font-family:"Arial","sans-serif";color:#211d70" class="">Birla Institute of Technology &
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-- <br class=""><br class="">Giovanni Cantele, PhD<br class="">CNR-SPIN<br class="">c/o Dipartimento di Fisica<br class="">Universita' di Napoli "Federico II"<br class="">Complesso Universitario M. S. Angelo - Ed. 6<br class="">Via Cintia, I-80126, Napoli, Italy<br class="">e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it" class="">giovanni.cantele@spin.cnr.it</a><br class="">Phone: +39 081 676910<br class="">Skype contact: giocan74<br class=""><br class="">ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" class="">http://www.researcherid.com/rid/A-1951-2009</a><br class="">Web page: <a href="http://people.na.infn.it/~cantele" class="">http://people.na.infn.it/~cantele</a><br class="">
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