[Wien] [GGA+U] with AFM and Spin-Orbit Coupling

Ghosh SUDDHASATTWA ssghosh at igcar.gov.in
Thu Sep 22 10:58:00 CEST 2011


 

Dear Wien2k users, 

I have a small querie on the use of GGA+U on a system wherein I have changed
the spins of two same atoms in case.inst file (that is it in AFM
arrangement). Can we carry out the following 

runsp_lapw -orb -so -i 200 -p in such a case. 

 

Regards 

Suddhasattwa 

 

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