Dear Fabrizio
The zaxis in the projection input block should be specified in Cartesian
coordinates so 1,1,1 corresponds to 1\hat{x} + 1\hat{y} + 1\hat{z}, where
\hat{x}, \hat{y} and \hat{z} are the Cartesian unit vectors.
Best wishes,
Arash
—
Professor Arash Mostofi — www.mostofigroup.org<http://www.mostofigroup.org>
Director, Thomas Young Centre @Imperial
Imperial College London
On 6 Sep 2021, at 07:53, Fabrizio Cossu
<[email protected]<mailto:[email protected]>> wrote:
Dear Wannier90 users (and developers),
I have a very simple question: in re-setting the direction of the z axis in
seedname.win<http://seedname.win/> (within the projection "environment"), shall
we use cartesian units or lattice units?
For example, if we have a trigonal cell, and we want to set the direction of
the z axis to (a1, a2, a3) - the lattice vectors - shall we use
z=1,1,1
or
z=0.5,0.866,1
?
Thank you in advance for your answer(s).
Kind regards,
Fabrizio Cossu
--
department of physics,
Kangwon National University (Chuncheon branch)
Chuncheon, Gangwon-do
Republic of Korea
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