Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: MechElastic: A Python Library for Analysis of Mechanical and Elastic
  Properties of Bulk and 2D Materials   The MechElastic Python package evaluates the mechanical and elastic
properties of bulk and 2D materials using the elastic coefficient matrix
($C_{ij}$) obtained from any ab-initio density-functional theory (DFT) code.
The current version of this package reads the output of VASP, ABINIT, and
Quantum Espresso codes (but it can be easily generalized to any other DFT code)
and performs the appropriate post-processing of elastic constants as per the
requirement of the user. This program can also detect the input structure's
crystal symmetry and test the mechanical stability of all crystal classes using
the Born-Huang criteria. Various useful material-specific properties such as
elastic moduli, longitudinal and transverse elastic wave velocities, Debye
temperature, elastic anisotropy, 2D layer modulus, hardness, Pugh's ratio,
Cauchy's pressure, Kleinman parameter, and Lame's coefficients, can be
estimated using this program. Another existing feature of this program is to
employ the ELATE package [J. Phys.: Condens. Matter 28, 275201 (2016)] and plot
the spatial variation of several elastic properties such as Poisson's ratio,
linear compressibility, shear modulus, and Young's modulus in three dimensions.
Further, the MechElastic package can plot the equation of state (EOS) curves
for energy and pressure for a variety of EOS models such as Murnaghan, Birch,
Birch-Murnaghan, and Vinet, by reading the inputted energy/pressure versus
volume data obtained via numerical calculations or experiments. This package is
particularly useful for the high-throughput analysis of elastic and mechanical
properties of materials.

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The categories of this paper are: eess
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The categories of this paper are: atom-ph
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The categories of this paper are: chem-ph
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The categories of this paper are: nucl-th
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The categories of this paper are: hep-th
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The categories of this paper are: solv-int
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The categories of this paper are: nlin
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The categories of this paper are: patt-sol
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The categories of this paper are: cs
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The categories of this paper are: gr-qc
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The categories of this paper are: econ
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The categories of this paper are: plasm-ph
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The categories of this paper are: mtrl-th
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The categories of this paper are: supr-con
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The categories of this paper are: cmp-lg
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The categories of this paper are: ao-sci