[QE-users] PWSCF calculation wavefunction

[Paolo Giannozzi]

The simplest way is to adapt one of the many post-processing codes that
read the data directory of QE and do something else. In the
soon-to-be-released 7.0 version, there is a new file "PP/src/pw2gt.f90"
that produces a highly readable output.

Paolo

On Sat, Dec 11, 2021 at 6:34 AM Yifan Zhou via users <
users at lists.quantum-espresso.org> wrote:

> Dear QE users and developers,
>
> I am trying to look at the wavefunction produced by SCF calculation. To be
> specific, I am looking at the eigenvectors saved under K0000X. However, it
> seems like the eigenvectors are written in a .dat file which I could not
> open properly. Is there a specific tool that I could use to read these
> files? Any information appreciated.
>
> Thanks in advance.
>
> Yifan Zhou, Student at UC San Diego
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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