<div dir="ltr">thanks you very much<br></div><div class="gmail_extra"><br><br><div class="gmail_quote">2013/10/24 Giovanni Cantele <span dir="ltr"><<a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank">giovanni.cantele@spin.cnr.it</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="word-wrap:break-word"><br><div><div class="im"><div>On Oct 24, 2013, at 11:44 AM, Halima Zaari <<a href="mailto:halimazaari@gmail.com" target="_blank">halimazaari@gmail.com</a>> wrote:</div>
<br><blockquote type="cite"><div dir="ltr"><div><div>Dears quantum espresso uers <br></div><div>my first question:<br><span lang="en"><span>is what</span> <span>I have to</span> <span>subtract</span> <span>the value of</span> <span>the Fermi level</span> <span>for</span> <span>this level</span> <span>to zero.</span>?<br>
</span></div></div></div></blockquote><div><br></div></div><div>you must first compute the Fermi level in your system, using its definition, that is,</div><div>Ef is the energy value such that the integral of the DOS with respect to the energy</div>
<div>equals the number of electrons.</div><div>You could plot the third column of the "fildos" file (after DOS calculation) as a function</div><div>of energy, and see where this curve intercepts the number of electrons in your system.</div>
<div class="im"><div><br></div><br><blockquote type="cite"><div dir="ltr"><div><div><span lang="en">
my second question:<br><span>in</span> <span>the attached</span> <span>file</span> <span>you can find</span> <span>the file.</span> <span>in</span> <span>for</span> <span>the</span> <span>partial</span> <span>density</span> <span>it gives me the</span> <span>error</span> <span>in</span> <span>name list</span></span></div>
</div></div></blockquote><div><br></div></div><div>you used "fildos", whereas projwfc expects "filpdos" (the former is for dos.x post processing)</div><div class="im"><div><br></div><br><blockquote type="cite">
<div dir="ltr"><div><div>
</div> can you help me please<br></div><div>cordially<br></div><div>-- <br><div dir="ltr"><font color="#888888"><font color="#ff0000" face="georgia, serif">H.ZAARI</font><div><font face="georgia, serif">PhD Student in </font><span style="font-family:georgia,serif">laboratory of magnetism and physics of high energy</span></div>
<div><font face="georgia, serif">Faculty of Sciences in Rabat - Morocco</font></div>
<div><font face="georgia, serif">Email:<u> halimazaari<font color="#3366ff"><a href="mailto:boujnah.mourad@gmail.com" target="_blank">@gmail.com</a><br></font></u></font><br></div></font></div>
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</blockquote><br></div></div><div><br></div><div><br></div><div>Giovanni</div><br><div>
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<br><br></div><div><br></div><div>--</div><div><div><br></div><div>**** PLEASE NOTICE THE NEW E-MAIL ADDRESS: <a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank">giovanni.cantele@spin.cnr.it</a></div></div><div>
<br></div><div><div>Giovanni Cantele, PhD</div><div>CNR-SPIN</div><div>c/o Dipartimento di Scienze Fisiche</div><div>Universita' di Napoli "Federico II"</div><div>Complesso Universitario M. S. Angelo - Ed. 6</div>
<div>Via Cintia, I-80126, Napoli, Italy</div><div>Phone: +39 081 676910</div><div>Skype contact: giocan74</div><div><br></div><div>ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" target="_blank">http://www.researcherid.com/rid/A-1951-2009</a></div>
<div>Web page: <a href="http://people.na.infn.it/~cantele" target="_blank">http://people.na.infn.it/~cantele</a></div><div> <a href="http://www.nanomat.unina.it" target="_blank">http://www.nanomat.unina.it</a></div>
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<font face="georgia, serif">PhD Student in </font><span style="font-family:georgia,serif">laboratory of magnetism and physics of high energy</span></div>
<div><font face="georgia, serif">Faculty of Sciences in Rabat - Morocco</font></div>
<div><font face="georgia, serif">Email:<u> halimazaari<font color="#3366ff"><a href="mailto:boujnah.mourad@gmail.com" target="_blank">@gmail.com</a><br></font></u></font><br></div></font></div>
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