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 [email protected]:
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 [email protected]:
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
[email protected] - tel:+30 2310 998109
_______________________________________________
Quantum Espresso is supported by MaX (www.max-centre.eu/quantum-espresso)
users mailing list [email protected]
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--
Dr. Eleni Chatzikyriakou
Computational Physics lab
Aristotle University of Thessaloniki
[email protected] - tel:+30 2310 998109
_______________________________________________
Quantum Espresso is supported by MaX (www.max-centre.eu/quantum-espresso)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
--
Dr. Eleni Chatzikyriakou
Computational Physics lab
Aristotle University of Thessaloniki
[email protected] - tel:+30 2310 998109
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
