Dear Pietro, Thank you very much for your answer. I have another question: are those numbers in Angstrom or what units? Regards, Piotr Szkudlarek
pon., 23 sty 2023 o 11:28 Pietro Davide Delugas <[email protected]> napisał(a): > Hello Piotr > The displacements' components are complex numbers; thus, six floats. > > Pietro > ------------------------------ > *Da:* users <[email protected]> per conto di Piotr > Szkudlarek <[email protected]> > *Inviato:* lunedì 23 gennaio 2023 10:55 > *A:* Quantum ESPRESSO users Forum <[email protected]> > *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 > _______________________________________________ > The Quantum ESPRESSO community stands by the Ukrainian > people and expresses its concerns about the devastating > effects that the Russian military offensive has on their > country and on the free and peaceful scientific, cultural, > and economic cooperation amongst peoples > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users >
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
