<i>Ab initio</i> electronic structure of metallized <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>NiS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math> in the noncollinear magnetic phase

We investigate the electronic structure of archetypical Mott insulator ${\mathrm{NiS}}_{2}$ by means density functional theory calculations in which we explicitly account for noncollinear antiferromagnetic order, as recently established isoelectronic analog $\mathrm{Ni}{(\mathrm{S},\mathrm{Se})}_{2}$. For metallic under high pressures, our predict a Fermi surface topology and volume are excellent agreement with recent quantum oscillation studies. However, find that wrongly predicts ground state even at ambient similar to previous nonmagnetic or collinear models. By including Hubbard interaction $U$ an on-site exchange $J$, phase is suppressed, but such extended model fails describe nature metal-to-insulating transition describes insulating itself incorrectly. These results highlight importance more sophisticated computational approaches deep phase, far away from transition.