[Pw_forum] sn calculation

[bhabya sahoo]

i am a new user of quantum espresso
i want study the alpha-beta transition of tin(Sn)
i found the phonon dispersion of alpha(diamond) structure
but for beta structure how can  find the phonon dispersion and vibrational
energy


because i calculated the static calculation of beta tin having tetragonal
cell (c/a=,546)
and 4 atoms having position 0 0 0 , .5.5.5, 0.5.75,.5 0 .25


for phonon calculation what should my position of atoms so that i can get
the vibrational energy from linear response theory
if i used the above i am getting 12 phonon branches  is it correct?
suggestions may help to know more about it
thanks














bd sahoo
barc
mumbai
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120111/43bb8163/attachment.html>