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|Cohesive energy versus lattice constant curve for monoatomic cubic lattices v002|
|Description||This Test Driver uses LAMMPS to compute the cohesive energy of a given monoatomic cubic lattice (fcc, bcc, sc, or diamond) at a variety of lattice spacings. The lattice spacings range from a_min (=a_min_frac*a_0) to a_max (=a_max_frac*a_0) where a_0, a_min_frac, and a_max_frac are read from stdin (a_0 is typically approximately equal to the equilibrium lattice constant). The precise scaling and number of lattice spacings sampled between a_min and a_0 (a_0 and a_max) is specified by two additional parameters passed from stdin: N_lower and samplespacing_lower (N_upper and samplespacing_upper). Please see README.txt for further details.|
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Daniel S. Karls|
Daniel S. Karls|
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|KIM Item Type||Test Driver|
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|KIM API Version||2.0|
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|CohesiveEnergyVsLatticeConstant__TD_554653289799_002.txz||Tar+XZ||Linux and OS X archive|