[Wannier] Wannier Projection related Query

Anindya Bose anindya at iiita.ac.in
Sun Aug 19 07:12:09 CEST 2018


Dear Experts,
How can I define the correct projection of particular material?Is it only
the hybridized state of atoms?If I am interested to find wannierized
bandstructure of Grapheme consisting 2 C atoms only then how can I
initialize my correct projection.Do I need to give atomic position of first
atom along with its hybridization and also the position of second atom
along with its hybridization?

Thanks and regards,
Anindya Bose
IIITA
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