[Wien] Question on spin scaling in LDA

Wen Fong Goh christopher_gohwf at hotmail.com
Wed Mar 30 02:00:08 CEST 2016


Hi,

I am using the spin scaling option to reduce the spin polarization in an antiferromagnetic calculation. I tried xc1 = 0 in both LDA and GGA, but only GGA gives zero magnetic moment. We know that with xc1 = 0, the magnetic part of the exchange correlation functional vanishes (equation 11 in Ortenzi et al.  2012), so the system should become non-magnetic. Do you know what is going on with the spin scaling in LDA?
 		 	   		  
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