Which Tag is used for RELAXED ION PIEZOELECTRIC COEFFICIENTS?????

Queries about input and output files, running specific calculations, etc.


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asgharali_jan
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Which Tag is used for RELAXED ION PIEZOELECTRIC COEFFICIENTS?????

#1 Post by asgharali_jan » Tue Sep 10, 2024 10:59 am

Which Tag is used for RELAXED ION PIEZOELECTRIC COEFFICIENTS?????

I have clamped ion Piezo electric coefficients . But Relaxed ion are not appearing in OUTCAR
which tag is to use for this purpose???/


marie-therese.huebsch
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Re: Which Tag is used for RELAXED ION PIEZOELECTRIC COEFFICIENTS?????

#2 Post by marie-therese.huebsch » Tue Sep 10, 2024 12:09 pm

IBRION=5, 6, 7 or 8 depending on the method you want to use. It my even be good to cross-check.

Does this solve the issue?
For future posts, could you please upload a minimal reproducible as stated by the forum guidelines?


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