Dear Uri, see this : http://pubs.acs.org/doi/abs/10.1021/jp212558p
I think it is one of the "most extensive" first-principles study on MX2-Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure. QE and VASP is used. Maybe you can find some useful stuff here: http://unam.bilkent.edu.tr/mt2/SIESTA-PHON/PHON/ Hope this helps Mehmet Topsakal Chemical Engineering and Materials Science, University of Minnesota, Postdoctoral Fellow. www.researchgate.net/profile/Mehmet_Topsakal/ > > > On Sat, Jan 11, 2014 at 10:20 AM, Uri Argaman <argamanu at > post.bgu.ac.il>wrote: > >> does anyone knows a work on phonon calculations of transition metals in >> hexagonal phases with Quantum-Espresso? >> >> Uri Argaman >> Ben-Gurion University >> Israel >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > > > > <http://www.researcherid.com/rid/A-5015-2010> > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140111/5546c4bd/attachment.html
