[Pw_forum] piezoelectric tensor in Pb(ZrxTi1-x)O3

Lorenzo Paulatto paulatto at sissa.it
Fri Nov 20 12:38:30 CET 2009


Replying to message "Re: [Pw_forum] piezoelectric tensor in  
Pb(ZrxTi1-x)O3" from mtt physics (18/11/09):
> I want to calculated piezoelectric constant from when atom displaced in  
> the perfect tetragonal it shown polarization calculate with Berry phase  
> method. The piezoelectric calculated from First-principles.

Dear Abdulmutta,
please have a look at example10.

regards


-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/

     *** save italian brains ***
  http://saveitalianbrains.wordpress.com/


More information about the Pw_forum mailing list