[Pw_forum] phq_readin and LDA+U
Andrea Floris
afloris at physik.fu-berlin.de
Thu Jun 12 17:22:26 CEST 2008
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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