[QE-users] Format of filp output file in bands.x

[elchatz at auth.gr]

Hello all,


I have managed to make a script that takes out the results after going  
through the source code, however, I see now that for each k-point the  
occupied bands may differ and this complicates things a bit for me. Is  
there any other way to make a plot of the momentum matrix elements in  
QE??


Regards,

Eleni







Quoting elchatz at auth.gr:

> So, I've managed to bring the file into the format:
>
> kx  ky  kz  20(??) 1(??) and the rest of the columns.
>
> My bands are 64, the columns are 2642. My k-points are 225.
>
>
> Any clues???
>
> Thank you.
>
> Eleni
>
>
>
>
>
> Quoting elchatz at auth.gr:
>
>> Hello everyone,
>>
>> Is there a guide on the format of the filp file in the bands.x  
>> calculation for me to parse it?
>>
>>
>> Regards,
>>
>> Eleni
>>
>>
>> -- 
>> Dr. Eleni Chatzikyriakou
>> Computational Physics lab
>> Aristotle University of Thessaloniki
>> elchatz at auth.gr - tel:+30 2310 998109
>>
>> _______________________________________________
>> Quantum Espresso is supported by MaX (www.max-centre.eu/quantum-espresso)
>> users mailing list users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
>
> -- 
> Dr. Eleni Chatzikyriakou
> Computational Physics lab
> Aristotle University of Thessaloniki
> elchatz at auth.gr - tel:+30 2310 998109
>
> _______________________________________________
> Quantum Espresso is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users



-- 
Dr. Eleni Chatzikyriakou
Computational Physics lab
Aristotle University of Thessaloniki
elchatz at auth.gr - tel:+30 2310 998109