[Wannier] How to specify the projectors for each atom separately in wannier90.win file?

[Gautam Gurung]

Alex,
You can specify the projections using the fractional coordinate/cartesian coordinate of the atom X in your MX/NX system.

Begin projections
c=cartesian coordinate of atom x: orbital you want to project
Or
f=fractional coordinate of atom X:orbital you want to project
End projections

For further information, you can check the user guide’s projection chapter.

Best regards
Gautam Gurung

From: Wannier <wannier-bounces at lists.quantum-espresso.org> On Behalf Of Mate Alex
Sent: 30 August 2020 23:51
To: wannier at lists.quantum-espresso.org
Subject: [Wannier] How to specify the projectors for each atom separately in wannier90.win file?

Hi all,
I am using the wannier90, which is interfaced with VASP  Usually, in wannier90.win file, we can mention the projection by using element choice. I want to know how one can specify the projection for each atom separately in wannier90.win file? Actually, in my system, both the substrate (MX) and the system (NX) have the same element X.  I just want to include only the projection of X from the MX system.
I would be highly thankful to you in this regard.


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