[Pw_forum] Quarry about special k-point

partha sarathi ghosh parthasarathi13 at gmail.com
Mon Sep 5 11:34:09 CEST 2011


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
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