i am a new user of quantum espresso<div>i want study the alpha-beta transition of tin(Sn)</div><div>i found the phonon dispersion of alpha(diamond) structure</div><div>but for beta structure how can find the phonon dispersion and vibrational energy</div>
<div><br></div><div><br></div><div>because i calculated the static calculation of beta tin having tetragonal cell (c/a=,546)</div><div>and 4 atoms having position 0 0 0 , .5.5.5, 0.5.75,.5 0 .25</div><div><br></div><div><br>
</div><div>for phonon calculation what should my position of atoms so that i can get the vibrational energy from linear response theory</div><div>if i used the above i am getting 12 phonon branches is it correct?</div><div>
suggestions may help to know more about it </div><div>thanks</div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div>
<br></div><div><br></div><div><br></div><div><br></div><div>bd sahoo</div><div>barc </div><div>mumbai</div>