[Pw_forum] FM and AFM calculations

Padmaja Patnaik padmaja_patnaik at yahoo.co.uk
Sat Aug 14 16:02:10 CEST 2010


Dear All

I have a doubt in the input for FM and AFM calculations. I am calculating for a compound semiconductor. If i have three different elements in the sample. I want to proceed with FM calculations then in the input I give nspin =2 and some positive value for starting magnetization for each element in the sample. Again for AFM calculations I give the input as nspin =2 and zero starting magnetization for all the three elements. Is this correct? 

Thanking in advance
regards
Padmaja Patnaik

Research Scholar

Dept of Physics

IIT Bombay

Mumbai, India


      
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100814/4b07513a/attachment.html>


More information about the users mailing list