[QE-users] R: Reading displacements from the matdyn.modes file

[Pietro Davide Delugas]

Hello Piotr
The displacements' components are complex numbers; thus, six floats.

Pietro
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Da: users <users-bounces at lists.quantum-espresso.org> per conto di Piotr Szkudlarek <p.szkudlarek at cent.uw.edu.pl>
Inviato: lunedì 23 gennaio 2023 10:55
A: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
Oggetto: [QE-users] Reading displacements from the matdyn.modes file

Dear QE community,
I would like to ask what is the meaning of 6 floats in matdyn.modes file. I can imagine that 3 of them show the coordinates of the displacements, but what are the other three? Also, which of them are the ones telling about the coordinates of the displacement?
Best,
Piotr Szkudlarek,
University of Warsaw
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