[Pw_forum] Regarding K-PATH for PWSCF reciprocal vectors

[Kondaiah Samudrala]

Dear all,
Presently I am doing phonon  calculations for body centered tetragonal
structure with c> a. As the people known that pwscf "ibrav basis vectors
and their reciprocal vectors"  are different for other structure formats
and it is quite uncomfortable  to plot the phonon dispersions using
standard format kpath selection in electronicstructure.org.
At instance, I want to know kpath selection of BCT structure with
reciprocal vectors of b1= (1.0000 -1.0000  0.0000), b2=(0.0000  1.0000
 0.6021), b3=(-1.0000  0.0000  0.6021) in 2pi/a units.
"If possible please provide me the source to understand the kpath
selections like gamma-X-Y-Z "


Thanks in advance
with regards
S. Appalakondaiah
PhD student
University of Hyderabad
India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20141213/667dce22/attachment.html>