Dear Lijun: may I suggest that you make a step back and answer yourself your own question?
Are molecular orbitals in diamagnetic materials singly or doubly occupied .?... hint. here is an excerpts from http://en.wikipedia.org/wiki/Diamagnetism ... Materials that are said to be diamagnetic are those which are usually considered by non-physicists as "non magnetic" ... SB On Sep 26, 2006, at 9:33 AM, Lijun Zhang wrote: > Dear all, > > I want to perform the phonon calculations of ZnF2, which is > diamagnetic. > Should I think of spin polarization? > > Best regards > > Lijun Zhang > National Lab of Superhard Materials > Jilin University > Changchun,130012 > P.R.China > Email: lijun_physics at yahoo.com.cn > > Mp3???-??????? --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20060926/2f172b90/attachment.htm
