[Smeagol-discuss] HOW CAN I CALCULATE THE GEOMETRY WHEN THERE IS A BIAS?

[Stefano Sanvito]

Dear Guangping,

At the moment forces are not implemented into Smeagol. You can optimize 
the geometry with Siesta, but this cannot be done when doing the 
transport (not even at zero bias). We are working on that.

Stefano
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Prof. Stefano Sanvito,
CRANN Deputy Director
		
School of Physics,    	  Ph. : +353-1-8963065
Trinity College Dublin,   Mob.: +353-87-9595384
Dublin 2, IRELAND	  Fax.: +353-1-6711759

http://www.spincomp.com
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