[Pw_forum] "epsil" for GaN and ZnO (0001) surface

mohnish pandey mohnish.iitk at gmail.com
Sun Apr 11 13:48:00 CEST 2010


Dear users,
                  I am doing phonon calculation for GaN and ZnO (0001)
surface. As you all know this has non-zero electric field in in as per Taker
type 3 instability. But when I am setting epsil = true in the calculation it
is giving error as

*%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%*
*from phq+readin : error #        1*
*no elec. field with metals
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%*
*
*
*Can anybody please help me out.*
*
*
*Thanks in advance,*
*MOHNISH
-- *
Mohnish Pandey
Y6927262,4th Year dual degree student,
Department of Chemical Engineering,
IIT KANPUR
09235721300
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100411/08a3de1b/attachment.html>


More information about the users mailing list