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package for nano-scale material simulations

package for nano-scale material simulations
from version 3.7.6-1


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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3337 other people were interested in this package here. The newest known version of this software is 3.8.5+dfsg1-1 (Information last updated about 8 hours ago.)