Dear Gavin Abo, Thank you very much!
Best, Bin On Sat, Aug 1, 2015 at 1:06 AM, Gavin Abo <gs...@crimson.ua.edu> wrote: > If you are trying to combine the LDA+U (nmod = 1) and external magnetic > field (nmod = 3) option of orb, I believe that you still cannot do that > without hacking the code: > > http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg05180.html > > http://wien.zeus.theochem.tuwien.ac.narkive.com/QtGeqKM4/lda-u-external-field > (or > http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-October/000970.html > ) > http://zeus.theochem.tuwien.ac.at/pipermail/wien/2004-January/001820.html > > > On 7/31/2015 1:10 AM, Bin Shao wrote: > > Dear all, > > I intend to calculated the split of f-band in the external magnetic field. > Normally, the Hubbard U should be applied to the f-orbital. So how to > achieve LDA+U and the external magnetic field in a single scf calculation? > > Best, > > Bin > > -- > Bin Shao > Postdoc > Department of Physics, Tsinghua University > Beijing 100084, P. R. China > Email: binshao1...@gmail.com > > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > > -- Bin Shao Postdoc Department of Physics, Tsinghua University Beijing 100084, P. R. China Email: binshao1...@gmail.com
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