LO-TO splitting in vasp 5.2

Message

boris · #1 Post by **boris** » Mon May 03, 2010 1:09 pm

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

thmason · #2 Post by **thmason** » Mon Nov 22, 2010 10:12 pm

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?

mayankaditya · #3 Post by **mayankaditya** » Tue Apr 12, 2011 8:09 am

I have also the same querry ? I hope admin will answer it.

Thanks

yiwang62 · #4 Post by **yiwang62** » Thu Nov 15, 2012 10:13 pm

see http://iopscience.iop.org/0953-8984/22/20/202201/