Hello Paolo, One more thing, I was looking at phonon.f90 ( QE version 4.3.) There is a comment says ! Not implemented in ph.x: ! [6] [5] + constraints on the magnetization ! [7] [6] + Hubbard U ! [8] [7] + Hybrid functionals ! [9] ? + External Electric field
Could you explain? Thanks On Fri, Nov 25, 2011 at 6:09 PM, IYAD AL-QASIR <iyad.ne at gmail.com> wrote: > Thanks Paolo, > Does that mean only the latest versions of (QE) Phonon code support DFT+U. > I am using QE version 4.0.3 because this is the only version compatible > with EPW code (Electron-Phonon with Wannier 90). > > Thanks again. > > > > On Fri, Nov 25, 2011 at 4:13 PM, Paolo Giannozzi <giannozz at > democritos.it>wrote: > >> >> On Nov 25, 2011, at 18:50 , IYAD AL-QASIR wrote: >> >> > 1- Does QE support phonon calculations with DFT+U? >> >> http://www.democritos.it/pipermail/pw_forum/2011-April/019992.html >> >> P. >> -- >> Paolo Giannozzi, Dept of Chemistry&Physics&Environment, >> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy >> Phone +39-0432-558216, fax +39-0432-558222 >> >> >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> > > > > -- > _______________________________ > IYAD I. AL-QASIR, PhD > Research Associate > > Department of Nuclear Engineering > North Carolina State University > Campus Box 7909 > 2500 Stinson Dr. > Raleigh, NC 27695-7909 > -- _______________________________ IYAD I. AL-QASIR, PhD Research Associate Department of Nuclear Engineering North Carolina State University Campus Box 7909 2500 Stinson Dr. Raleigh, NC 27695-7909 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111125/063926de/attachment.htm