Everything about Kiloparsec totally explained
PARSEC is a package designed to perform
electronic structure calculations of
solids and
molecules using
density functional theory (DFT). The acronym stands for
Pseudopotential Algorithm for Real-Space Electronic Calculations. It solves the
Kohn-Sham equations in real space, without the use of
explicit basis sets.
One of the strengths of this code is that it handles non-periodic boundary conditions in a natural way, without the use of super-cells. Its development started in early 1990's with James Chelikowsky (now at the
University of Texas), Yousef Saad and collaborators at the
University of Minnesota. The code is freely available under the
GNU GPL. Currently, its public version is 1.1. Some of the physical/chemical properties calculated by this code are: Kohn-Sham
band structure, atomic forces, static
susceptibility,
magnetic dipole moment.
Further Information
Get more info on 'Kiloparsec'.
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