[Wien] ask spin-polarized nonmagnetic state again

[kongshi]

Dear Peter Blaha:

     Thank you for your reply. I have read the script of runsp_c_lapw. But I
meet some problems. In your reply, "the up and dn densities are the same",
however, I think it leads to V(up)=V(dn) and we can't do the LDA+U. Is there
any statistical method in the script and why can you copy the case.vectorup
to vectordn simply? I just wonder the theoretical foundation

Thank you very much.

 

 

 

 

 

Yours

 

 

Kongshi

 

 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20070704/bdbdc88d/attachment.html