Respected Dr. Lorenzo Paulatto, Thank you for Quick reply..May be it is basic and crude to ask like this.can you please explain me the *"**displacement pattern of the atoms"* in pwscf output.. I am not clear..Otherwise please give me some path for understand the output..
Thanks in advance with regards S. Appalakondaiah PhD Student University of Hyderabad -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140730/3521590d/attachment.html
