ABINIT Discussion Forums

Posted: **Mon Apr 15, 2019 7:44 pm**

Dear all
I calculated the Elastic Tensor and Proper piezoelectric constants.Then I want to cumpute the dij with the Elastic Tensor and Proper piezoelectric constants.Should I ues the Elastic Tensor part or relaxed ion part?

Best wishes
jlwindy

Posted: **Fri Apr 26, 2019 8:04 am**

Dear jlwindy,
The relaxed one should be associated with the total response. Clamped ions is the "electronic" contribution part.
Best wishes,
Eric

Posted: **Sun Apr 28, 2019 10:20 am**

Dear Eric
I get it.Thank you very much.

Best wishes
jlwindy

ABINIT Discussion Forums

Clamped ion and relaxed ion

Clamped ion and relaxed ion [SOLVED]

Re: Clamped ion and relaxed ion

Re: Clamped ion and relaxed ion