[Wannier] definition of zaxis

[Mostofi, Arash]

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 <cossu at kangwon.ac.kr<mailto:cossu at kangwon.ac.kr>> 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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