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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