[Pw_forum] How to specify spin for individual atoms

Lorenzo Paulatto paulatto at sissa.it
Mon May 17 10:13:47 CEST 2010


On Mon, 17 May 2010 10:11:12 +0200, Bipul Rakshit <bipulrr at gmail.com>  
wrote:
> But if u see the atomic co-ordinate i gave there i require the Mn1 spin  
> up & down, and Mn2 spin up & down.

Dear Bipul,
all the point of defining two different fake types for a single element is  
to give them different magnetization. Can't you just call Mn1 all the ones  
with spin up and Mn2 all the ones with spin down? Otherwise, you'll have  
to do Mn1, Mn2, Mn3, Mn4...

regards


-- 
Lorenzo Paulatto

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