[Pw_forum] LO-TO splitting in complete phonon dispersion using PWSCF

[Kondaiah Samudrala]

Dear Sir,

Thank you for the suggestion. Now, I found imaginary acoustic modes (around
-80 cm-1) at ambient conditions and the same closes to zero at high
pressures using with out using Born effective charges ( I changed T to F
and removed the charges )in .fc file. On the other side, All my frequencies
are positive from ambient to entire pressures using with born effective
charges.

It is bit surprising me. Am I miss some thing????  If possible please
provide me the IBZ special points of BCT structure with Pwscf basis vectors
for c/a > 1

with regards
S. Appalakondaiah
PhD Scholar
University of Hyderabad
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