<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear Vega Lew: did you know that QE comes with some documentation? Ever thought to take a glance at it before posting a question here? If anything else fails, try to google, e.g. "mulliken, site: pwscf.org" and/or to search the archive of this mailing list Also consider that learning is a slow and steep process that requires efforts and dedication. Haste does not help much here. Best wishes. SB<div><br><div><div>On Jul 16, 2008, at 6:39 AM, vega lew wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; 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: 0; "><div class="hmmessage" style="font-size: 10pt; font-family: Tahoma; ">Dear all,<br><br>Now, I have relaxed a structure. After calculation fininshed, there was a dictionary named<br>prefix.save createde by pw.x. I think the Mulliken Charges of atoms in the system were stored in it.<br>Could you tell me how to extract the Mulliken Charges information from it? using pp.x?<span class="Apple-converted-space"> </span><br><br>best wishes,<br><br>vega<br><br><font size="4"><span style="font-family: 'Lucida Handwriting', cursive; ">Vega Lew</span></font><br>PH.D Candidate in Chemical Engineering<br>State Key Laboratory of Materials-oriented Chemical Engineering<br>College of Chemistry and Chemical Engineering<br>Nanjing University of Technology, 210009, Nanjing, Jiangsu, China<br><hr>Discover the new Windows Vista<span class="Apple-converted-space"> </span><a href="http://search.msn.com/results.aspx?q=windows+vista&mkt=en-US&form=QBRE" target="_new">Learn more!</a><span class="Apple-converted-space"> </span>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><a href="http://www.democritos.it/mailman/listinfo/pw_forum">http://www.democritos.it/mailman/listinfo/pw_forum</a><br></div></span></blockquote></div><br></div></body></html>