dear Siddheshwar chopra i suggest wien2k only for optical properties .
unfortunately , i have no information about any software for magnetic properties of molecules . best regards. On 7/23/14, siddheshwar chopra <sidhusai at gmail.com> wrote: > Dear Ashkan, > Yes you are correct. But I want to study magnetic properties. I use FIREFLY > 8.1.0. But it doesn't fit for magnetic properties. Could you suggest any > software for studying magnetic properties of molecules? > WIEN2K is very slow I guess. > > Regards, > > > On Wed, Jul 23, 2014 at 2:57 PM, ashkan shekaari <shekaari at gmail.com> > wrote: > >> Dear Siddheshwar >> >> for dealing with molecules , i suggest gaussian code g09 . >> >> for the optical properties , espresso is very weak and i suggest >> again gaussian g09 or wien2k . >> >> -- >> Best wishes >> Ashkan Shekaari >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > *Dr. Siddheshwar chopra,* > > > *M.Sc., Ph.D (Physics)Assistant Professor (Physics),* > *Amity University, Noida, India.* > -- Best wishes Ashkan Shekaari
