[Pw_forum] dynamical matrices
Jonathan Breeze
breezejd at lsbu.ac.uk
Tue May 11 15:38:50 CEST 2004
Dear Pwscf Forum.
Would I be correct in thinking that the dynamical matrices produced by ph.x
are not mass weighted ?
i.e. D_{ij}(q) = \sum_R C_{ij}e^{-q.R}
and not
\tilde{D}_{ij}(q) = \frac{1]{\sqrt{M_i M_j}} \sum_R C_{ij}e^{-q.R}
--
Jonathan Breeze
Research Fellow
Centre for Physical Electronics and Materials
London South Bank University
103 Borough Road
London
SE1 0AA
Tel: +44(0)20 7815 7582
Fax: +44(0)20 7815 7599
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