[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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