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LO-TO splitting in vasp 5.2

Posted: Mon May 03, 2010 1:09 pm
by boris
Hi all,

I would like to know whether vasp can compute the linear response to an eletric field in order to take into account the LO-TO splitting. I have computed the phonon frequencies in AlAs but the transverse and optical modes are degenerate and they shouldn't be due to the LO-TO splitting.

Thank you for your answers

Regards

LO-TO splitting in vasp 5.2

Posted: Mon Nov 22, 2010 10:12 pm
by thmason
I'm having the same issue. Even if I set LEPSILON true, it calculates the BORN charges but doesn't incorporate it into the phonon frequencies. Am I missing a flag?

LO-TO splitting in vasp 5.2

Posted: Tue Apr 12, 2011 8:09 am
by mayankaditya
I have also the same querry ? I hope admin will answer it.

Thanks

LO-TO splitting in vasp 5.2

Posted: Thu Nov 15, 2012 10:13 pm
by yiwang62