Dear PW-scf members, I would like to know how to calculate the mean square displacement of the total system. I ran the QHA, for the given example of AlAs. It is showing only one atom (individual Al and As displacements) mean square displacement (same is mentioned in the document). Is there any possibility to get the complete mean square displacement of the whole system example AlAs.
Thanks in advance. -- -- *Best* *Regards* V. K. GUDELLI vkgudelli at gmail.com IIT HYDERABAD -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140730/f4032089/attachment.html
