Thanks a lot sir Stefaan Now i understand it. i am very thankful to you.
Regards Arqum Hashmi ________________________________ From: Stefaan Cottenier <Stefaan.Cottenier at UGent.be> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> Sent: Tuesday, March 20, 2012 4:03 AM Subject: Re: [Wien] help required > :DIS : CHARGE DISTANCE ( 0.0009012 for atom 43 spin 2) 0.0002113 > > i can't understand it. it looks like also for individual atoms. The number at the very right is the total value for the entire unit cell. The number between brackets is the one for the atom/spin that has the largest contribution (apart from a normalization). Stefaan _______________________________________________ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120320/6b38ac9e/attachment.htm>
