Minimum tracking linear response Hubbard and Hund corrected Density Functional Theory in CP2K

Ziwei Chai, Rutong Si, Mingyang Chen +3

We present the implementation of the Hubbard ($U$) and Hund ($J$) corrected Density Functional Theory (DFT+$U$+$J$) functionality in the Quickstep program, which is part of the CP2…