[QE-users] PWSCF calculation wavefunction

[Paolo Giannozzi]

Between next Friday and next Monday

Paolo

On Wed, Dec 15, 2021 at 8:32 AM Yifan Zhou <y3zhou at ucsd.edu> wrote:

> 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
>>>
>>> _______________________________________________
>>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu
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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
>>
>>

-- 
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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