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Which Tag is used for RELAXED ION PIEZOELECTRIC COEFFICIENTS?????
Posted: Tue Sep 10, 2024 10:59 am
by asgharali_jan
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???/
Re: Which Tag is used for RELAXED ION PIEZOELECTRIC COEFFICIENTS?????
Posted: Tue Sep 10, 2024 12:09 pm
by marie-therese.huebsch
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?