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

Piotr Szkudlarek p.szkudlarek at cent.uw.edu.pl
Mon Jan 23 10:55:16 CET 2023


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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