[Wien] open core treatment
Stefaan Cottenier
stefaan.cottenier at fys.kuleuven.be
Mon Mar 3 16:30:55 CET 2008
> No, I did not change de to 0, i.e. now I did it and rerun calculation.
>
You might anyway consider LDA+U instead of this open core treatment. It
should change your f-states in a less dramatic and usually more correct
way than the open core method does. And it does not require more
calculation time.
Stefaan
Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm
More information about the Wien
mailing list