[Pw_forum] dynamical matrices
Jonathan Breeze
breezejd at lsbu.ac.uk
Thu Apr 14 13:54:27 CEST 2005
Dear Pwscf developers,
Is there a reason why the dynamical matrices produced by ph.x are not divided
by the square root of the masses of both atoms? Consequently, the
eigenvectors are also scaled relatively by their square root of the masses
and then normalised to unity.
Most texts define the dynamical matrix to be divided by the square roots of
the relevant masses and then the eigenvectors are found from diagonalising
this and then normalising them.
I was wondering ....
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