[Pw_forum] vdW corrections in phonon calculations

[Giovanni Cantele]

Hi,I think that dynamical matrix calculations are currently compatible with vdW functionals, both non local and DFT-D2.

There is a quite explanatory and detailed list of what ph.x can and cannot do in the header of  PHonon/PH/phonon.f90

Giovanni

> On 12 Dec 2017, at 22:37, Gautam Gaddemane <gautamg88 at gmail.com> wrote:
> 
> Hello everyone,
> I am new to Quantum Espresso and I am trying to calculate the phonons for bilayer phosphorene.
> Currently I am using Quantum Espresso 6.1 and I would like to know if I can implement vdW corrections int his calculations.
> 
> Thank you
> Gautam
> 
> GAUTAM GADDEMANE
> DEPARTMENT OF MATERIALS SCIENCE AND ENGINEERING
> UNIVERSITY OF TEXAS AT DALLAS
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-- 

Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.fisica.unina.it/~cantele

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