Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Accurate construction of transition metal pseudopotentials   We generate a series of pseudopotentials to examine the relationship between
pseudoatomic properties and solid-state results. We find that lattice constants
and bulk moduli are quite sensitive to eigenvalue, total-energy difference and
tail norm errors, and clear correlations emerge. These trends motivate our
identification of two criteria for accurate transition metal pseudopotentials.
We find that both the preservation of all-electron derivative of tail norm with
respect to occupation and the preservation of all-electron derivative of
eigenvalue with respect to occupation {[Phys. Rev. B {\bf 48}, 5031 (1993)]}
are necessary to give accurate bulk metal lattice constants and bulk moduli. We
also show how the fairly wide range of lattice constant and bulk modulus
results found in the literature can be easily explained by pseudopotential
effects.

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The categories of this paper are: astro-ph
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The categories of this paper are: alg-geom
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The categories of this paper are: econ
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The categories of this paper are: bayes-an
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The categories of this paper are: hep-lat
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The categories of this paper are: eess
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The categories of this paper are: mtrl-th
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The categories of this paper are: nucl-ex
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The categories of this paper are: stat
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The categories of this paper are: hep-th
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The categories of this paper are: adap-org
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The categories of this paper are: cmp-lg
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The categories of this paper are: q-bio
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The categories of this paper are: gr-qc
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The categories of this paper are: q-fin
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The categories of this paper are: solv-int