[Wien] GGA+SO for AFM NiO

The SO option is not supported by the afm option in antiferromagnetic calculation

From wien mail list : [Wien] GGA+SO for AFM NiO

 bruce.tian Sat, 4 Feb 2012 20:55:40 +0800

Dear all:

I am doing the calculation of AFM NiO using w2web. After the GGA
calculation I want to do GGA+SO. However I just get the message "

so not supported with AFM calculations" and the program stopped. What
is the problem?

After calculate AFM NiO with TB-mbj potential, still can I do the SO
calculation?

best regards
feng tian

 Reply by Rocquefelte 

It means that the "AFM" option is not supported by the SO calculation.

After the AFM calculation you should do a spin-polarized calculation 
(without the option AFM).
Then after you will be able to do a "SO" calculation.

Best Regards

Xavier