[Pw_forum] About diamagnetic calculation

[Stefano Baroni]

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疯狂搜-新歌热歌高速下

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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