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Dear all,<br>
<br>
I work on Boron Nitride structures and got confused about the use
spin polarization in that case.<br>
Well, some people say that one have to but I have papers which
described DFT calculations on BN without it. <br>
So, I'm wondering how much spin polarization influence the cell
relaxation and scf calculations, and whether it has some influence
on phonon for instance.<br>
Thank you,<br>
<br>
Éric.<br>
<br>
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Be the change you wish to see in the world<br>
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<br>
<a
href="http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986">Dr.
Éric Germaneau</a><br>
<br>
Graduate University of Chinese Academy of Sciences<br>
College of Physical Sciences<br>
Yuquan Road 19A<br>
Beijing 100049<br>
China<br>
<br>
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