Dear Kumar,
the only reason to use finite differences would be to work with an exchange correlation functional for which linear-response is not implemented - otherwise you should use the phonon code. I quickly looked at the PHON package mentioned below, but I can't understand if it has the non-analytic terms for insulators - does anyone know? PHONOPY (http://atztogo.github.io/phonopy/( does, and it might be the most active/supported code interfaced to pwscf. nicola On 08/07/2016 09:21, Lorenzo Paulatto wrote: > On Friday, July 8, 2016 9:20:27 AM CEST Sonu Kumar wrote: >> Dear QE users, >> >> Can the QE calculate phonons using finite difference approach exploiting >> the symmetry of a system? > > Dear Kumar, > the PHON package from Dario Alfé ca nbe interfaced with quantum espresso, it > takes a few hours to get started but it works very effectively. > > http://www.homepages.ucl.ac.uk/~ucfbdxa/phon/ > > hth > > -- ---------------------------------------------------------------------- Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL Director, National Centre for Competence in Research NCCR MARVEL, EPFL http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
