Hi,
The first principle is based on 0K. So, I want to ask if I could calculate
sturucture of high temperature. Such as, some structure are znic-blend,but
it will transform to wurtzite at high temperature. Could I calculate
property of wurtzite of these materials using pwscf ?  Such as phonon
dispersion, thermal properties.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: 
http://www.democritos.it/pipermail/pw_forum/attachments/20110624/2fec9a21/attachment.htm
 

Reply via email to