[QE-users] Clarification on the Atomic Coordinate System in Geometry Relaxation

[erik.hansen at dlr.de]

Dear Quantum ESPRESSO users and developers,



Unfortunately, there was an issue with the text in my previous email, and it was not sent correctly. I am resending it here.



I am currently working with Quantum ESPRESSO and would like to clarify which type of coordinate system is used internally by the code for the atomic positions during a geometry relaxation calculation.

Thank you in advance for your support.



Best regards

Erik Hansen



--------------------------

Deutsches Zentrum für Luft- und Raumfahrt e. V. (DLR)

German Aerospace Center

Institute for Frontier Materials on Earth and in Space | Linder Höhe | 51147 Köln | Germany



M.Sc.  Erik Hansen (he/him) | Researcher

Telephone +49 123 123-4567 | erik.hansen at dlr.de<mailto:erik.hansen at dlr.de>

Feel free to let me know which pronouns you would like to be addressed with.

DLR.de<http://www.DLR.de/>



DLR is represented by the Executive Board and employees authorised by it.
Head of DLR's legal department, Linder Hoehe, 51147 Cologne, can provide information (DLR.de/imprint<https://DLR.de/imprint>).



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