Eigenvectors from finite differences -> Cartesian or fractional coordinates?

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jeongyoungchoi
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Eigenvectors from finite differences -> Cartesian or fractional coordinates?

#1 Post by jeongyoungchoi » Tue Jul 30, 2024 10:21 pm

To whom it may concern,

I am writing to get a confirmation of the coordinate system of the normalized eigenvectors (dx,dy,dz) from the phonon calculations. To be specific, I would like to know if the eigenvectors are indeed in direct (fractional) coordinates as stated in the documentation: https://www.vasp.at/wiki/index.php/Phon ... ifferences

A similar question has been asked in the past, but has been unanswered:
forum/viewtopic.php?t=17739

Thank you in advance!

manuel_engel1
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Re: Eigenvectors from finite differences -> Cartesian or fractional coordinates?

#2 Post by manuel_engel1 » Wed Jul 31, 2024 12:02 pm

Hi,

Thanks for posting on the VASP forum. This is indeed an error in the documentation. I can confirm that the eigenvectors are not written in direct coordinates, but in Cartesian coordinates. Thank you for catching this mistake. We will update our online documentation on the VASP wiki.
Manuel
VASP developer

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