[QE-users] PWSCF calculation wavefunction

[Yifan Zhou]

Dear Dr. Giannozzi,

Thank you for your information! Would you mind letting me know  any
estimate over when 7.0 will be released?

Regards,
Yifan Zhou

On Mon, Dec 13, 2021 at 12:39 AM Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> 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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