[Phonopy-users] Professor
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From: MENZA Z. <men...@gm...> - 2023-02-24 10:26:49
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Thank you very much for your email On Fri, Feb 24, 2023, 12:25 PM Antonio Cammarata <cam...@fe...> wrote: > Hi, > > what is your phonopy input? Did you try to add the tag EIGENVECTORS = > .TRUE. to the input file? You can find more info in the documentation. > > Best > > Antonio > On 24. 02. 23 9:56, Patrizio Graziosi wrote: > > Hello, > > This is Patrizio from the National Research Council, Italy. I have started > to approach phonopy and I wonder if it is possible to diagonalize the > dynamical matrix and get the phonon eigenvectors when interfacing with > quantum espresso. > I know it is possible with VASP but I'm struggling in doing this with > quantum espresso. > > Thanks in advance, > Patrizio > > *--* > *Patrizio Graziosi, PhD > <https://scholar.google.de/citations?user=asbZXssAAAAJ&hl=en>* > scholar.google profile > <https://scholar.google.it/citations?user=asbZXssAAAAJ&hl=en>, > ResearcherID: F-8225-2014 <http://www.researcherid.com/rid/F-8225-2014> > > *Research Scientist* > > *CNR - ISMN* > *Institute for the Study of Nanostructured Materials* > > > > > > _______________________________________________ > Phonopy-users mailing lis...@li...://lists.sourceforge.net/lists/listinfo/phonopy-users > > -- > _______________________________________________ > Antonio Cammarata, PhD in Physics > Assistant Professor in Applied Physics > Advanced Materials Group > Department of Control Engineering - KN:G-204 > Faculty of Electrical Engineering > Czech Technical University in Prague > Karlovo Náměstí, 13 > 121 35, Prague 2, Czech Republic > Phone: +420 224 35 5711 > Fax: +420 224 91 8646 > ORCID: orcid.org/0000-0002-5691-0682 > WoS ResearcherID: A-4883-2014 > > > _______________________________________________ > Phonopy-users mailing list > Pho...@li... > https://lists.sourceforge.net/lists/listinfo/phonopy-users > |