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

[Paolo Giannozzi]

On Jun 18, 2007, at 6:10 , Adrain Zhou wrote:
>
> 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 calculate it?

use option 'epsil' of code ph.x (or cgph.x)

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

if the main effect of the temperature is via the change of volume,
it can be easily calculated; other effects may be much less obvious

Paolo
---
Paolo Giannozzi, Democritos and University of Udine, Italy