piezoelectric interactions

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zahra
Posts: 17
Joined: Thu Mar 09, 2017 11:31 am
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piezoelectric interactions

Post 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

carla.verdi
Posts: 155
Joined: Thu Jan 14, 2016 10:52 am
Affiliation:

Re: piezoelectric interactions

Post by carla.verdi »

Dear Zahra,

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

Best,
Carla

zahra
Posts: 17
Joined: Thu Mar 09, 2017 11:31 am
Affiliation:

Re: piezoelectric interactions

Post by zahra »

Dear Carla,

Thank you so much for your fast reply.

Best,
Zahra

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