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LammpsExample: cohesive energy and equilibrium lattice constant of fcc argon
Description This example Test Driver illustrates the use of LAMMPS to compute the equilibrium lattice spacing and cohesive energy of fcc argon using Polak-Ribiere conjugate gradient minimization in LAMMPS and an initial guess at the equilibrium lattice spacing supplied by the user through pipeline.stdin.tpl.
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Contributor Daniel S. Karls
Maintainer Daniel S. Karls
Published on KIM 2018
How to Cite

This Test Driver is archived in OpenKIM [1-3].

[1] LammpsExample: cohesive energy and equilibrium lattice constant of fcc argon. OpenKIM; 2018.

[2] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[3] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Funding Not available
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Citable Link https://openkim.org/cite/TD_567444853524_004
KIM Item TypeTest Driver
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KIM API Version1.9.0
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100.00% Shell
Previous Version LammpsExample__TD_567444853524_003

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