[Pw_forum] atomic displacement when calculating phonon freq

pieremanuele canepa pc229 at kent.ac.uk
Thu Jan 13 19:47:54 CET 2011


Dear all,

I wonder if the ph.x code prints out the atomic displacements due to the
vibrational mode.
For instance I cannot find any of these in  the example_02 folder. Any hint?

Best regard, Piero

-- 
*Please consider the environment before printing this e-mail.*
**
Pieremanuele Canepa
Room 104
Functional Material Group
School of Physical Sciences, Ingram Building,
University of Kent, Canterbury, Kent,
CT2 7NH
United Kingdom

e-mail: pc229 at kent.ac.uk
mobile: +44 (0) 7772-9756456
-----------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110113/a331a017/attachment.htm 


More information about the Pw_forum mailing list