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.* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140723/f048efd5/attachment.html
