Why I don't see LSDA under "Exchange correlation"?

[qweasel]

I'm following your paper in PRB, where you used LSDA for Ni-graphene interface.

According to the NiO tutorial, LSDA is supposed to be listed under "Exchange correlation". However I only have LDA, GGA and MGGA there.

[Jess Wellendorff]

You need to "turn on" spin-polarization to get the options LSDA and SGGA. Select "Polarized" in the drop-down menu named "Spin".

[qweasel]

Can you please briefly explain why spin polarization is needed here in the first place?

[Jess Wellendorff]

Bulk nickel and compounds containing nickel atoms are usually spin-polarized in the electronic ground state. You need spin-polarized DFT to capture this.