Mansoureh Pashangpour wrote: > Dear all > I would like to obtain phonon frequencies for Cd(OH)2 by LDA+U .But the > code didn't work with LDA+U for phonon calculation and
Please have a look at this recent post by Matteo Cococcioni: http://www.democritos.it/pipermail/pw_forum/2009-January/011367.html > I just found the frequencies by LDA. Is there any way to obtain these > frequencies by LDA+U? In the meantime I think you can still use the old, dear frozen phonon method... > Which physical properties can be obtain by PWscf with LDA+U except DOS > and Bandstructure? Forces and stress should work as well. HTH GS > Thanks > Pashangpour > > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- o ------------------------------------------------ o | Gabriele Sclauzero, PhD Student | | c/o: SISSA & CNR-INFM Democritos, | | via Beirut 2-4, 34014 Trieste (Italy) | | email: sclauzer at sissa.it | | phone: +39 040 3787 511 | | skype: gurlonotturno | o ------------------------------------------------ o
