Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: The effect of double counting, spin density, and Hund interaction in the
  different DFT+$U$ functionals   A systematic comparative study has been performed to better understand
DFT$+U$ (density functional theory + $U$) method. We examine the effect of
choosing different double counting and exchange-correlation functionals. The
calculated energy distribution and the Hund-$J$ dependence of potential profile
for representative configurations clearly show the different behaviors of each
DFT$+U$ formalism. In particular, adopting spin-dependent exchange-correlation
functionals likely leads to undesirable magnetic solution. Our analyses are
further highlighted by real material examples ranging from insulating oxides
(MnO and NiO) to metallic magnetic systems (SrRuO$_3$ and BaFe$_2$As$_2$). The
current work sheds new light on understanding DFT$+U$ and provides a guideline
to use the related methods.

8
The categories of this paper are: hep-ex
11
The categories of this paper are: hep-lat
36
The categories of this paper are: cmp-lg
2
The categories of this paper are: math
18
The categories of this paper are: econ
34
The categories of this paper are: chem-ph
16
The categories of this paper are: stat
32
The categories of this paper are: atom-ph
35
The categories of this paper are: mtrl-th
24
The categories of this paper are: dg-ga
21
The categories of this paper are: adap-org
29
The categories of this paper are: funct-an
3
The categories of this paper are: physics
19
The categories of this paper are: eess
31
The categories of this paper are: ao-sci
37
The categories of this paper are: supr-con