Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Automated selection of the local potential for transferable
  pseudopotentials   We develop an automated procedure to select the local potential of a
separable pseudopotential that minimizes transferability errors for the
isolated atom, and we show that this optimization leads to significant
improvements in the accuracy of predicted solid-state properties. We present
pseudopotentials for Y, In, and Sn. For these pseudopotentials, our method
reduces solid-state errors by 88% on average, as measured by the
$\Delta$-factor test. These pseudopotentials are constructed in the
Kleinman-Bylander form; however, our method is applicable to all separable
pseudopotentials, such as ONCV pseudopotentials. We perform plane-wave
convergence tests according to SSSP standards and show that the modifications
to the local potential leave plane-wave convergence unchanged.

32
The categories of this paper are: atom-ph
37
The categories of this paper are: supr-con
27
The categories of this paper are: comp-gas
7
The categories of this paper are: hep-th
33
The categories of this paper are: plasm-ph
13
The categories of this paper are: quant-ph
19
The categories of this paper are: eess
35
The categories of this paper are: mtrl-th
28
The categories of this paper are: alg-geom
23
The categories of this paper are: solv-int
26
The categories of this paper are: bayes-an
31
The categories of this paper are: ao-sci
12
The categories of this paper are: nucl-th
30
The categories of this paper are: q-alg
36
The categories of this paper are: cmp-lg
21
The categories of this paper are: adap-org