[Pw_forum] The calcualtion of static dielectric constant using espresso!

Adrain Zhou adrainzhou at yahoo.com.cn
Mon Jun 18 06:10:36 CEST 2007


Dear all,

I am trying to do the static dielectric constant for
TiO2 systetm. It seems example30 provides a
calcualtion of static dielectric constant for MgO.
This mainly involves CP dynamics. Here I just want to
know whether the static dielectric constant can be
obtained using linear response method. Could anybody
please give me more details on how to calcualte it?

Another question: is it possible to study the effect
of temperature on the static dielectric constant?


Many thanks in advance!

With regards,
Adrian


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