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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