[Wien] A question on spin density map
Sherif Yehia
wien542002 at yahoo.com
Sun Oct 9 21:42:43 CEST 2005
Dear Prof. Stefaan
Thank you very much for your reply
I have another question
Can I use the following command to get spin density
map for a magnetic system calculation with LDA+U
including SO
x lapw1 -orb -so -up/dn (to get the valid
vectorsoup/dn)
x lapw2 -so -up/dn
x lstart
x lapw5 -so -up/dn
Thank you again for your help
with my best wishes
--- Stefaan Cottenier
<Stefaan.Cottenier at fys.kuleuven.be> wrote:
>
> > Q1: Is it possible using Wien2k code to plot the
> > spin
> > density map for a given magnetic system?
>
> See usersguide, section 8.6.3 (lapw5), input line 6,
> keyword SUB.
>
> Stefaan
>
>
> Disclaimer:
> http://www.kuleuven.be/cwis/email_disclaimer.htm
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
>
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
__________________________________
Yahoo! Mail - PC Magazine Editors' Choice 2005
http://mail.yahoo.com
More information about the Wien
mailing list