<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><br><div><div>On Apr 19, 2011, at 12:26 PM, boudjemaa bouaouina wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div dir="ltr"><div>Dear all,</div>
<div>I want to plot energy band for silicon, I have the scf calculation, and now how to plot energy band function with K</div>
<div>thank you</div>
<div>bouaouina<br><br></div>
</div></blockquote><br></div><div>I apologize if I'm wrong, but it seems to me that this question as nothing to do with "radius of the sphere to calculate the projected density of states"</div><div>as reported in the subject.</div><div><br></div><div>According to what suggested here:</div><div><a href="http://www.quantum-espresso.org/wiki/index.php/Pw_users">http://www.quantum-espresso.org/wiki/index.php/Pw_users</a></div><div>
<div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div>you should:</div><div>i) s<span class="Apple-style-span" style="font-family: sans-serif; font-size: 13px; line-height: 19px; ">ign your post with your name and affiliation</span></div><div><font class="Apple-style-span" face="sans-serif" size="3"><span class="Apple-style-span" style="font-size: 13px; line-height: 19px;">ii) choose a meaningful subject. Do not use "reply" to start a new thread</span></font></div><div><font class="Apple-style-span" face="sans-serif" size="3"><span class="Apple-style-span" style="font-size: 13px; line-height: 19px;"><br></span></font></div><div><font class="Apple-style-span" face="sans-serif" size="3"><span class="Apple-style-span" style="font-size: 13px; line-height: 19px;">Mostly important (always quoting from the above link), "<meta charset="utf-8">Before posting, <i>please</i>: browse or search the archives - ..... Most questions are asked over and over again. Also: make an attempt to search the available documentation, notably the <a href="http://www.quantum-espresso.org/wiki/index.php/FAQ" title="FAQ" style="font-family: Arial, Helvetica, sans-serif; font-size: 12px; font-style: normal; line-height: 23px; font-weight: bold; color: rgb(77, 77, 77); text-decoration: none; ">FAQ</a>, the <a href="http://www.quantum-espresso.org/wiki/index.php/User_Guide" title="User Guide" style="font-family: Arial, Helvetica, sans-serif; font-size: 12px; font-style: normal; line-height: 23px; font-weight: bold; color: rgb(77, 77, 77); text-decoration: none; ">User Guide</a>, and the <a href="http://www.quantum-espresso.org/wiki/index.php/Input_Data_Description" title="Input Data Description" style="font-family: Arial, Helvetica, sans-serif; font-size: 12px; font-style: normal; line-height: 23px; font-weight: bold; color: rgb(77, 77, 77); text-decoration: none; ">Input Data Description</a>. The answer to most questions is already there."</span></font></div><div><font class="Apple-style-span" face="sans-serif" size="3"><span class="Apple-style-span" style="font-size: 13px; line-height: 19px;"><br></span></font></div><div><font class="Apple-style-span" face="sans-serif" size="3"><span class="Apple-style-span" style="font-size: 13px; line-height: 19px;">In this specific case, browsing the User Guide would take you to the following link:</span></font></div><div><font class="Apple-style-span" size="3" face="sans-serif"><span class="Apple-style-span" style=""><a href="http://www.quantum-espresso.org/user_guide/node26.html#SECTION00061020000000000000">http://www.quantum-espresso.org/user_guide/node26.html#SECTION00061020000000000000</a></span></font></div><div><font class="Apple-style-span" size="3" face="sans-serif">where, among the other things it is suggested to "</font><span class="Apple-style-span" style="font-family: sans-serif; ">See Examples 01, 05, 08"</span></div><div><span class="Apple-style-span" style="font-family: sans-serif; "><br></span></div><div><span class="Apple-style-span" style="font-family: sans-serif; ">If you now cd the espresso-x.x.x/examples directory on your PC, the README file says: </span></div><div><span class="Apple-style-span" style="font-family: sans-serif; "><div>example01:</div><div> This example shows how to use pw.x to calculate the total energy</div><div> and the band structure of four simple systems: Si, Al, Cu, Ni.</div><div><br></div><div>So, not only you get an answer, but in this specific case, browsing example01, you're so lucky that</div><div>someone already wrote all the input files you need!!!!</div><div><br></div><div><br></div><div><br></div><div>Giovanni</div></span></div><div><br></div><div><br></div><div><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">giovanni.cantele@spin.cnr.it</a></div></div><div><br></div><div><div>Giovanni Cantele, PhD</div><div>CNR-SPIN and Dipartimento di Scienze Fisiche</div><div>Universita' di Napoli "Federico II"</div><div>Complesso Universitario M. 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