[Pw_forum] Hessian matrix

[Paolo Giannozzi]

On Nov 26, 2012, at 11:56 , Antonio wrote:

> Yes. How could I get it?

1) calculate phonons for a grid of wave-vectors
2) Fourier-Transform dynamical matrices to real space (code q2r.x)
See PHonon/example02. The format of the force constant file has
been explained in previous messages.


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