[Pw_forum] matdyn.x: write out complete dynamical matrices
Katalin Gaal-Nagy
katalin.gaal-nagy at physik.uni-regensburg.de
Mon Oct 16 15:49:16 CEST 2006
Dear all,
I would like to modify the program matdyn.x in a way, that not only the
frequencies are written, but also the dynamical matrices for all q in
the star(q) like the program ph.x writes them to a file.
As far as I looked through the routines, it seems to be sufficient to
exchange the part where the routines dyndiag and writemodes are called to
a call of the routine dynmatrix. Am I overlooking something? For example
the calculation of the q in the star, or is this part done inside of
the routine dynmatrix?
Thanks for your help!
All the best,
Katalin
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