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
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