[Wien] about oscilations of scf procedure

[zhoukj]

Dear all
   I'm now using LDA+U do the calculation of rare earth oxides. When I put 4f orbital as the correlated orbital,  and run scf, I found that the scf procedure oscilates, but it is convergent. What's the problem?  Should I add spin-orbit in the calculation? How to set it?
Thanks a lot.  




Sincerely yours,
Zhou Ke jin

       
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                      Beijing Synchrotron Radiation Facility

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                      10:31:57    2005-08-18 
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