[Pw_forum] Wrong Static dielectric constant for TiO2

Adrain Zhou adrainzhou at yahoo.com.cn
Tue Jun 19 10:00:34 CEST 2007


Dear all,

I have tried to calculte the static dielectric
constant for TiO2 by using pw.x and ph.x. I got the
following results for output of ph.x.
 
End of electric fields calculation

          Dielectric constant in cartesian axis

          (       7.855837978      -0.051415295     
-0.008755542 )
          (      -0.051415295       7.855837978     
-0.008755542 )
          (      -0.008755520      -0.008755520      
8.995713377 )

The static dielectric constant for TiO2 is around 110.
It seems these values are very close to high frequency
dielectric constant. Am I wrong?

Any comments and suggestions will be highly
appreciated!

Regards,
Adrian


		
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