Hi Christian, I think it should work with EPW if you correctly save the ".dvscf" files. If anything, you can post your questions on EPW forum (http://epwforum.uk/) and someone will definitely help you.
Best, Hari Paudyal SUNY, Binghamton On Thu, Nov 7, 2019 at 7:51 AM Christian helman <[email protected]> wrote: > Thanks Hari > I should read carefully the manual next time. > Is it compatible with epw? > > Thanks! > > El mar., 5 nov. 2019 13:41, Hari Paudyal <[email protected]> > escribió: > >> Hi Christian, >> >> nat_todo can be used to choose the subset of atoms to be used in the >> linear response calculation. Please have a look if that is under your >> interest. >> >> Best, >> Hari Paudyal >> SUNY, Binghamton >> >> On Tue, Nov 5, 2019 at 11:26 AM Christian helman < >> [email protected]> wrote: >> >>> Hi >>> I just calculate an interface between two compounds. No problem and >>> results are as expected. >>> however I would like to calculate the phonons at the interface (even >>> more electron -phonon coupling but let's start with just phonons). >>> Since my unit cell is huge, my question is : >>> is there any way to calculate the phonons "only at the interface" by >>> allowing to move the interface atoms ?? something like "selective >>> dynamics" >>> Thanks in advance >>> >>> -- >>> Dr. Christian Helman >>> Departamento de Neutrones y Reactores >>> Centro Atómico Bariloche -CNEA >>> Ezequiel Bustillos 9,500 Km - CP 8400 >>> San Carlos de Bariloche >>> Provincia de Rio Negro, Argentina >>> Tel:++54-294-444-5100 int 5308 >>> _______________________________________________ >>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso >>> ) >>> users mailing list [email protected] >>> https://lists.quantum-espresso.org/mailman/listinfo/users >> >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) >> users mailing list [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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