Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Comparison of charged-defect finite-size supercell correction methods in
  a general framework   Starting from the total energy expressions within density functional theory,
we are able to perform a comparison of several currently used charged-defect
finite-size supercell correction schemes in a unified manner. This approach
also provides a framework for a further development of corrections not only for
DFT supercell calculations, but also for more advanced methods and for complex
geometries. The comparison is performed for three separate defect cases: a
gallium vacancy in GaAs, a beryllium interstitial in GaAs and a vacancy in
diamond. We found two methods working sufficiently well for all three cases: a
method which is very similar to one presented by Freysoldt, and a slightly
altered potential alignment method.

21
The categories of this paper are: adap-org
8
The categories of this paper are: hep-ex
28
The categories of this paper are: alg-geom
20
The categories of this paper are: acc-phys
25
The categories of this paper are: patt-sol
30
The categories of this paper are: q-alg
27
The categories of this paper are: comp-gas
16
The categories of this paper are: stat
15
The categories of this paper are: nucl-ex
37
The categories of this paper are: supr-con
36
The categories of this paper are: cmp-lg
33
The categories of this paper are: plasm-ph
12
The categories of this paper are: nucl-th
19
The categories of this paper are: eess
32
The categories of this paper are: atom-ph
17
The categories of this paper are: q-fin