Dear QE users, I am interested in plotting phonon dispersion curve of a crystal having space group Cmcm (63) [orthorhombic base centred structure with b>c>a]. For that I took some of the special k-points from the website : http://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-kv-list (for b>a). I want to see phonon branches from 'Gamma' to 'Y' through point 'C' (special k-points as mentioned in that site). 'C' point is given as u-1/2,u+1/2,0 ex. My question is how to write this special k-point path in matdyn.in file.
Thanks in advance P. S. Ghosh BARC,INDIA -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110905/29ed1d1e/attachment.htm