[Pw_forum] esp_0 for LaAlO3

[alan chen]

Dear Stefano,
      Thank you very much for your previous email.
      However, I am now calculating esp_0 of bulk LaAlO3. For a polar
material with large dielectric constant, I expect esp_0 is much larger than
esp_infty. But since all the forces on the atoms are zero,  the code does
not know how to move the atoms when I relax them.
      By the way, how to calculate esp_0 in principle? Shall I relax the
structure while turning on the electric field?
       Sorry to bother you again.

Hanghui
Department of Physics,
Yale University
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