[QE-users] Understanding Output of atomic_proj.xml

[Paolo Giannozzi]

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 <dalam at 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
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-- 
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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