[Pw_forum] Quantum ESPRESSO Output

[Jia Chen]

Hi Ian,

Those are Kohn-Sham eigenstates, coefficients of plane waves written in
binary.

Cheers

On Sun, Jun 19, 2016 at 9:30 PM, Ian Dunn <iansdunn at gmail.com> wrote:

> Please revise the last question in my previous email to read:  "Also, are
> the wave functions outputted here the Bloch eigenstates of the
> noninteracting Schrodinger equation, or are they Kohn-Sham eigenstates?"
>  Thanks!
>
> Regards,
> Ian Dunn
> Columbia University
>
> On Sun, Jun 19, 2016 at 6:23 PM Ian Dunn <iansdunn at gmail.com> wrote:
>
>> To Whom It May Concern:
>>
>> For a generic band structure calculation, I'd like to know the
>> eigenfunctions at several k points.  When I set wf_collect=.true. I believe
>> this information is printed in the K* directories in the files evc.dat and
>> gkvectors.dat.  Is there a manual anywhere on how to interpret these output
>> files?  Also, are the wave functions outputted here the Bloch eigenstates
>> of the many-body Schrodinger equation, or are they Kohn-Sham eigenstates?
>> Thanks so much!
>>
>> Regards,
>> Ian
>>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160619/4cc82d32/attachment.html>