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

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


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
asgharali_jan
Newbie
Newbie
Posts: 12
Joined: Sat Mar 02, 2024 7:31 am

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
Full Member
Full Member
Posts: 212
Joined: Tue Jan 19, 2021 12:01 am

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?


Post Reply