[Pw_forum] static dielectric constant (esp_0)

[alan chen]

Dear PWSCF users,
      I am now trying to calculate the static dielectric constant (esp_0).
>From the example31 in the espresso4.0 package, I know that by doing two
self-consistent calculation with E=0 and E=0.001a.u. (E is an external
homogeneous electric field), we can get esp_{inf} i.e. the ions do not
respond to the electric field. Now since I want to calculate esp_0 (include
the response of ions), I relax all the atoms by using 'relax'. However, I
found that all the forces on the atoms are zero even if I turn on electric
field. So how to calculate static dielectric field (esp_0) ? Why are the
forces zero even when the external electric is turned on?
      Thank you very much.

Hanghui
Department of Physics
Yale University
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