Dear All, Hello. 1. I would appreciate if anybody could refer me to an article or site which explains how to get the projected wavefunction on atoms OR equivalently describe the output of projwfc.x. 2. I would be grateful if anybody refer me to an input file which shows how to move a couple of atoms in a big structure to find their final position.
I am really thankful of any kind of help and advice. I look forward to hearing from you. Yours M Alaaii -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110714/30f2cfd6/attachment.htm
