[Pw_forum] vc-relax with homogeneous electric field

[Mostafa Youssef]

Dear Lei,


If your material is does not exhibit large electrostriction and piezoelectric effect , then you can ignore changes in lattice parameter.  Other wise you need to generate multiple curves (energy vs. volume) each curve has a different c/a ration. Where c is the direction parallel to the field (typically elongated), and a is perpendicular to the field , typically shortened.




Mostafa
MIT
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