Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Frenkel pair formation energy for cubic Fe$_3$O$_4$ in DFT+U
  calculations   Ab initio modelling of point defects in the cubic phase of magnetite faces
two problems: the cubic structure becomes unstable below the Verwey temperature
and there is no consensus on the electronic structure of the cubic phase (if
there is a band gap, what type of symmetry of the wavefunction should be
considered and how to describe strong electronic correlations). In this paper,
we show that the comparison of the experimental data on the band gap and the
Frenkel pair formation energy with the first-principles calculations allows to
determine a consistent DFT+U model of cubic Fe$_3$O$_4$.

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The categories of this paper are: math
23
The categories of this paper are: solv-int
8
The categories of this paper are: hep-ex
36
The categories of this paper are: cmp-lg
0
The categories of this paper are: hep-ph
24
The categories of this paper are: dg-ga
3
The categories of this paper are: physics
19
The categories of this paper are: eess
26
The categories of this paper are: bayes-an
9
The categories of this paper are: nlin
12
The categories of this paper are: nucl-th
31
The categories of this paper are: ao-sci
15
The categories of this paper are: nucl-ex
29
The categories of this paper are: funct-an
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The categories of this paper are: chao-dyn
17
The categories of this paper are: q-fin