[Pw_forum] Hessian matrix

Paolo Giannozzi giannozz at democritos.it
Wed Nov 21 20:52:56 CET 2012


On Nov 20, 2012, at 14:19 , Antonio wrote:

> How could I get a Hessian matrix in a text format from a phonon  
> calculation, for example?

you mean, the interatomic force constants in real space?

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







More information about the users mailing list