[Pw_forum] Query on phonon dispersion

Ajit Vallabhaneni avallabh at purdue.edu
Sun Nov 20 21:51:12 CET 2011


            Thanks for your quick reply. But i still have doubts on my third question. It's more of a programming question which cannot be found in journal papers.

" iii) In specifying the k-space coordinates to obtain frequencies at a point in the file "*.matdyn.in", what are the units for the co-ordinates? are they just (2*pi/alat) or crystal (in terms of reciprocal lattice vectors)? "

 Also do you have experience on graphene? 


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