Projwfc.x computes "the projection of band states over atomic orbitals". If you just need atomic orbitals, it's not what you need
Paolo On Wed, Nov 18, 2020 at 10:15 AM Didarul Alam <da...@knights.ucf.edu> wrote: > Hi Everyone > > For one of my projects, I need to calculate atomic wavefunction. For that, > I have used projwfc.x and it generates atomic_proj.xml in the output files. > But now, unfortunately, I could not understand the output file. Does anyone > have any experience with atomic_proj.xml file? Any kind of help will be > highly appreciated. > > Best > Didarul Alam > Graduate Student > Department of Physics > University of Central Florida > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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