[Wien] 4f in core

jan kunes kunes at yammer.ucdavis.edu
Mon Aug 9 17:14:04 CEST 2004


Does anybody know if it is possible and how to force 4f states to stay in 
core? I guess that this can be done by adding a confining potential to 
case.vsp for this particular orbital. I know that I can use the two window 
semicore scheme, but for whatever reason I am not getting satisfactory 
results so I'd like to try f's in core if possible.

Jan




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