Please check is there any imaginary frequencies.
On Mon, Nov 4, 2013 at 12:24 AM, henry odhiambo <henod2001 at yahoo.com> wrote: > Hello all, > > The QHA calculation seems to be running well but I cannot get values for > F_vib and entropy. Instead I get 'NAN'. > > What would be the cause? > > Please, help. > > Henry Odhiambo Otunga > Department of Physics and Materials Science > Maseno University > Kenya > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- *P.V.SREENIVASA REDDY* *Research Scholar Department of Physics * *Indian Institute of Technology* *Hyderabad* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131104/616de660/attachment.html
