partha sarathi ghosh wrote: > How to calculate phonon dispersion curve using ph.x that I know > but I want to displace a particular atom in a particular direction > with adjustable displacement.
doesn't make sense to me. There is no "real" dispacement in the phonon code (unlike in "frozen phonon" method): the linear response to a displacement is calculated instead P. -- Paolo Giannozzi, Democritos and University of Udine, Italy
