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piezoelectric interactions

Posted: Wed Jan 17, 2018 11:00 am
by zahra
Dear EPW developers and users,

I have a question regarding the piezoelectric interactions which are coupled to acoustic phonons. I wish to know whether piezoelectric interactions are present in wannier interpolation or we should treat the material as polar by setting 'lpolar' to true till we can have the piezoelectric interactions calculated while using EPW?

Best regards,
Zahra

Re: piezoelectric interactions

Posted: Wed Jan 17, 2018 4:27 pm
by carla.verdi
Dear Zahra,

Yes in order to correctly capture the piezoelectric interaction with Wannier interpolation you should set lpolar=.true.

Best,
Carla

Re: piezoelectric interactions

Posted: Thu Jan 18, 2018 8:48 am
by zahra
Dear Carla,

Thank you so much for your fast reply.

Best,
Zahra