[Pw_forum] phonon calculation with dispersion corrections

Paolo Giannozzi paolo.giannozzi at uniud.it
Tue Jul 29 17:02:59 CEST 2014

On Mon, 2014-07-28 at 18:17 +0200, H. Lee wrote:

> If the scf calculation included the vdW corrections, does the phonon
> calculation automatically (without any command about vdW) include the
> vdW correction in the phonon calculation?

no: phonon calculations with Grimme correction is not implemented


Paolo Giannozzi, Dept. 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