[Pw_forum] Fw : Postprocessing code

[Paolo Giannozzi]

On May 11, 2010, at 15:17 , Bertrand SITAMTZE wrote:

> Please could somebody indicates a postprocessing code
> for extracting the mean square displacement(MSD) of
> atoms from QE, cp.x  ouput?

you might try to modify cppp.x (in CP/fpmdpp.f90, documentation in
Doc/INPUT_CPPP*) to ehat you need

P.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222