[Pw_forum] unit of mode vectors in matdyn.modes
Steve Schmerler
elcortogm at googlemail.com
Thu Dec 13 11:25:40 CET 2012
Hello
I'm doing a frozen phonon calculation for just one q-point and all
it's modes by displacing atoms along eigenvectors from matdyn.modes
obtained by a previous phonon calculation.
I looked through the documentation and the relevant source files but
couldn't figure out the unit / normalization of
* the eigenvectors in matdyn.modes
* the q-points (I guess fractional w.r.t. reciprocal unit cell)
Thank you.
best,
Steve
--
Steve Schmerler
Institut für Theoretische Physik
TU Bergakademie Freiberg
Leipziger Str. 23, 09599 Freiberg, Germany
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