[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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