QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ramkrishna on April 23, 2016, 08:46

Title: SO along with LSDA+U
Post by: ramkrishna on April 23, 2016, 08:46

Dear Sir,
Is it possible to consider spin-oribit coupling (SO) along with LSDA+U in ATK 2015.1?

Thanks
Ramkrishna

 

Title: Re: SO along with LSDA+U
Post by: Jess Wellendorff on April 25, 2016, 08:46

No, DFT+U doe snot work with non-collinear spin, and therefore also not with spin-orbit.