[Pw_forum] Band structure projected on atomic orbitals

K.M. Mohsin mohsin.eee at gmail.com
Fri Jan 20 15:00:25 CET 2017


Hello everyone,

I am wondering is there any program or utility in QE package to calculate
and plot band structure projected on atomic orbitals. In VASP they call it
"Orbital projected band structure".

I have seen this question asked earlier but to the best of my knowledge,
previous answers were unfortunately referred to partial DOS calculation
with projwfc.x or referred to personal work which is not complete in terms
of code and documentation. To clarify, I wish to produce a figure as in the
bellow,

http://www.nature.com/articles/ncomms10892/figures/6

Thanks.


-- 

K. M. MOHSIN
Ph. D. Candidate (Nanoelectronics area),
Dept. of Electrical Engineering and Computer Science,
Louisiana State University, Baton Rouge, LA. U.S.A.
Phone : +1 (832) 868 8371
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