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
On Jul 16, 2008, at 6:39 AM, vega lew wrote: > Dear all, > > Now, I have relaxed a structure. After calculation fininshed, there > was a dictionary named > prefix.save createde by pw.x. I think the Mulliken Charges of atoms > in the system were stored in it. > Could you tell me how to extract the Mulliken Charges information > from it? using pp.x? > > best wishes, > > vega > > Vega Lew > PH.D Candidate in Chemical Engineering > State Key Laboratory of Materials-oriented Chemical Engineering > College of Chemistry and Chemical Engineering > Nanjing University of Technology, 210009, Nanjing, Jiangsu, China > Discover the new Windows Vista Learn more! > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080716/c0a5de13/attachment.htm
