[QE-users] How to use plotproj.x?

[ENDALE ABEBE]

plotproj.x help needed
ENDALE ABEBE
to users
7 days ago
Details
Dear all

I need to do some band projections to see which band has what percentage of
each orbital of each species of my samples. For that, I believe I need to
use the 'plotproj.x' program. I've read the previous discussions about this
and also the plotproj.f90.

Even though, I did the calculations using projwfc.x and sumpdos.x, I could
not extract the data showing contribution of each orbital.

I also have the following doubts about plotproj.x:
1. How to select the threshold?
2. what are the criterions for 'ncri' / How to choose them ?
3. first_atomic_wfc, last_atomic_wfc - are these the file names of the
wfcs written in pw,x 'outdir' ?
4. can I have a sample input file for plotproj.x ?

With Regards


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