CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of the constituent elements' chemical potentials
within which it is stable, in comparison with competing phases and the elemental forms.

Features

  • For 2D and 3D systems, plot files are produced that can be directly used in GNUPLOT and MATHEMATICA
  • Produces a grid of points within the stability region, which may be used to determine formation energies over a wide range of relevant chemical potentials

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Registered

2013-04-19
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