[Pw_forum] spin-polarized calculation in optimizing lattice

[明文美]

Dear all:
 
       I  have a very step-in question: when optimizing the lattice,should the magnetism calculation be included ? or just the none spin-polarized calculation is OK ? I think that for a solid possessing magnetism the magnetism calculation should be used to obtain the relaxed lattice in optimizing lattice. am I right?
 
Any suggestion is greatly appreciated .
Thanks very much !
 
Wenmei Ming  
_________________________________________________________________
快来看看这些猫咪有多逗，爆笑！
http://cnweb.search.live.com/video/results.aspx?q=%E5%8F%AF%E7%88%B1%E7%8C%AB%E5%92%AA&Form=MEVHAA
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20080803/e91a0664/attachment.html>