openmx
package for nano-scale material simulations

from version 3.7.6-1
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Description
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.Homepage
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1653 other people were interested in this package here. The newest known version of this software is 3.7.6-2+b1 (Information last updated 1 day ago.)
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