[Pw_forum] phq_readin and LDA+U

[Paul Grant]

Dear Andrea,

Great news.  Please feel free to call on me as a "beta tester" when appropriate.

-Paul


----- Original Message ----
From: Andrea Floris <afloris at physik.fu-berlin.de>
To: PWSCF_forum <pw_forum at pwscf.org>
Sent: Thursday, June 12, 2008 8:22:26 AM
Subject: [Pw_forum]  phq_readin and LDA+U


Dear Paul,

regarding the combination  LDA+U and phonons, I am implementing,
together with Prof. Matteo Cococcioni and Prof. Stefano de Gironcoli,
the extension of the linear response theory to include the extra terms
coming from the Hubbard energy. The implementation is not complete, but a
lot of work has been done, and it will be complete soon.
cheers,
Andrea



---------------
Dr. Andrea Floris
Institut f"ur Theoretische Physik
Freie Universit"at Berlin
Arnimallee 14
D-14195 Berlin
Germany
Tel +49-30-838-53029
Fax +49-30-838-55258
e-mail: afloris at physik.fu-berlin.de
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