polarization direction crystal or cartesian coordinates

Concerns any physical issues arising during the setup step (-i option). This includes problems with symmetries, k/q-point sets, and so on. For technical problems (running in parallel, etc), refer to the Technical forum.

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burkzdemir
Posts: 95
Joined: Tue Sep 09, 2014 7:57 pm

polarization direction crystal or cartesian coordinates

Post by burkzdemir » Fri Oct 24, 2014 1:05 am

Is the polarization direction defined in crystal axes or cartesian axes? For example when we have hcp structure the angle between x and y coordinates is not 90 degrees.
Burak Ozdemir
Post-doc,
University of Modena and Reggio Emilia, Italy
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Daniele Varsano
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Joined: Tue Mar 17, 2009 2:23 pm
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Re: polarization direction crystal or cartesian coordinates

Post by Daniele Varsano » Fri Oct 24, 2014 7:34 am

Dear Burak,
the polarization vector is in cartesian coordinates.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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