[QE-users] Would you explain the input file for plotproj.x (or have typical example input file)?

ENDALE ABEBE endtse at gmail.com
Tue Sep 10 09:55:30 CEST 2019


Dear all

Though I read the file plotproj.f90, I have stil the following doubts:
1. How to select the threshold?
2. what are the criterions for 'ncri' / How to choose them ?
3. first_atomic_wfc, last_atomic_wfc - How can I find them?
4. can I have a sample input file for plotproj.x ?

My final goal of this question is to calculate the percentage contribution
of each atomic orbital of each speciece for the conduction band minimum,
CBM, & valence band maximum, VBM, in doped SnTe system.

With Regards
Endale A.G.


-- 
Endale Abebe
Lecturer
Faculty of Materials Science and Engineering
Jimma Institute of Technology
Jimma University
Mobile: +251921381598
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