[Pw_forum] vc-relax for a Magnetic atom

Ali ALLAM ali.allam2 at hotmail.com
Wed Nov 23 09:06:33 CET 2011




Dear All
 
I want to calculate the vc-relax for a magnetic atom, like the manganese Mn.
 
I try to do it, but always , i obtain errors and the calculation is not good at all.
 
So what should i add in my input to obtain a better calculation for Mn.
 
Can anybody send for me to ali.allam2 at hotmail.com an example for the vc-relax for a magnetic atom.
 
Thanks 
 
Ali
 		 	   		  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20111123/da24ae06/attachment.html>


More information about the users mailing list