<div dir="ltr"><div style="font-family:comic sans ms,sans-serif;color:rgb(0,0,0)" class="gmail_default">Dear Users <br></div><div style="font-family:comic sans ms,sans-serif;color:rgb(0,0,0)" class="gmail_default"><br> I'm trying to calculation Raman and IR frequencies with PHonon package<br>
included in QE. i want to know the prerequisites that i have to check , for<br>
example no of KPOINT in SCF run, asr typr in madyn calculation.<br>
Since i am getting negative value for frequecy as well as raman intensity<br>
for my system. can any one help in this regard ?<br>
Thank you<br>
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<br> Muthu V<br>
Sri Paramakalyani Colege<br>
Alwarkurichi<br>
<br> ==========================================</div></div>