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Translating openmx
- # Source: openmx
- # Package(s): openmx
- # Prioritize: 43
- # Versions: openmx (3.2.4.dfsg-3+b1), openmx (3.2.4.dfsg-3)
Raw form:
# Source: openmx
# Package(s): openmx
# Prioritize: 43
# Versions: openmx (3.2.4.dfsg-3+b1), openmx (3.2.4.dfsg-3)
# This Description is active
# This Description is owned
Description: Package for nano-scale material simulations
OpenMX (Open source package for Material eXplorer) is a program package for
nano-scale material simulations based on density functional theories (DFT),
norm-conserving pseudopotentials and pseudo-atomic localized
basis functions. Since the code is designed for the realization of
large-scale ab initio calculations on parallel computers, it is anticipated
that OpenMX can be a useful and powerful tool for nano-scale material sciences
in a wide variety of systems such as biomaterials, carbon nanotubes, magnetic
materials, and nanoscale conductors.
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