[QE-users] relax with tefield

Masum Alihosseini masumalihosseini at gmail.com
Mon Jun 1 07:35:00 CEST 2020


Hi all
I want to apply electric field (tefield) to my structure. I've done the
ralax calculation within the both bellow procedure and the results have
been different:
1- First I did optimization without electric field and then repeat the
relax calculation for optimized structure with applying electric field.
2- I optimized straightly my primary (not optimized) structure with
electric field.
I don't know which one is correct, would you please help me?
best regards
Masumeh Alihosseini
Zanjan University, Iran
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