[Wien] Reg:LDA+U

[Swetarekha Ram]

Dear Users,

     I am doing LDA+U calculation.
I have done the spin-polarization calculation, by using the command
runsp_lapw.

After that I have edited the file case.indm and case.inorb for the LDA+U
calculation.
And by using the runsp_lapw -orb,
I got the result fine.
But I have a doubt that, is it necessary that each time we have to do the
spin-polarization calculation before LDA+U ?

OR

Can we do the LDA+U calculation, after the run_lapw ?

-- 
Swetarekha Ram,
Research Scholar,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130310/85598641/attachment.htm>