Dear QE USERS, It is nice to know that the DFPT+U has been recently implemented. I hope, it will be public soon. If not, may I ask a developmental implementation or executables, so that I can also perform some test calculations for my systems ? Sometime carrying out FROZEN PHONON is boring.
By the way, thanks a lot for the good news. Regards, Saha SK, R&D Assistant, JNC, Bangalore On Thu, Jul 15, 2010 at 12:14 PM, Andrea Floris <an.floris at gmail.com> wrote: > Dear Ali, > > The DFPT+U has been recently implemented, and I am doing some > calculations on test materials, to see > how it performs. It will be public in the future, both in > norm-conserving and ultrasoft pseudopotentials. > > Regards, > > Andrea > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100715/64c375cc/attachment.htm
